N-(2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl)-N-methyl-2-morpholinopropanamide, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H33N5O2
Molecular Weight	435.5618
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl)-N-methyl-2-morpholinopropanamide, (S)-

Structure Search

SMILES

C[C@H](N1CCOCC1)C(=O)N(C)C2=CC3=C(C=C(N3)C4=NNC5=C4CCC(C)(C)C5)C=C2

InChI

InChIKey=ZZZXGCPVQQOASC-INIZCTEOSA-N

InChI=1S/C25H33N5O2/c1-16(30-9-11-32-12-10-30)24(31)29(4)18-6-5-17-13-21(26-20(17)14-18)23-19-7-8-25(2,3)15-22(19)27-28-23/h5-6,13-14,16,26H,7-12,15H2,1-4H3,(H,27,28)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H33N5O2
Molecular Weight	435.5618
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:19:21 GMT 2025` Edited by `admin` on `Tue Apr 01 21:19:21 GMT 2025`
Record UNII	P0BJU71YZI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl)-N-methyl-2-morpholinopropanamide, (S)-

Systematic Name

English

JTE-051

Preferred Name

English

ITK inhibitor 2

Common Name

English

(S)-N-(2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl)-N-methyl-2-morpholinopropanamide

Systematic Name

English

4-Morpholineacetamide, N,?-dimethyl-N-[2-(4,5,6,7-tetrahydro-6,6-dimethyl-1H-indazol-3-yl)-1H-indol-6-yl]-, (?S)-

Systematic Name

English

(?S)-N,?-Dimethyl-N-[2-(4,5,6,7-tetrahydro-6,6-dimethyl-1H-indazol-3-yl)-1H-indol-6-yl]-4-morpholineacetamide

Systematic Name

English

Code System Code Type Description

CAS

1309784-09-5

Created by admin on Tue Apr 01 21:19:21 GMT 2025 , Edited by admin on Tue Apr 01 21:19:21 GMT 2025

PRIMARY

PUBCHEM

135980528

Created by admin on Tue Apr 01 21:19:21 GMT 2025 , Edited by admin on Tue Apr 01 21:19:21 GMT 2025

PRIMARY

FDA UNII

P0BJU71YZI

Created by admin on Tue Apr 01 21:19:21 GMT 2025 , Edited by admin on Tue Apr 01 21:19:21 GMT 2025

PRIMARY

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					P0BJU71YZI

N-(2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl)-N-methyl-2-morpholinopropanamide, (S)-

ACTIVE MOIETY

Amount: