NX-5948

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H54N12O5
Molecular Weight	806.9556
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN([C@@H]2CCCN(C2)C3=NC(NC4=CC=C(C=C4)C5CCN(CC6CCN(CC6)C7=CN=C(C=C7)C(=O)N[C@H]8CCC(=O)NC8=O)CC5)=C(N=C3)C(N)=O)C1=O

InChI

InChIKey=HPTPDBYCFHFWJG-CWTKIQHKSA-N

InChI=1S/C42H54N12O5/c1-50-21-22-54(42(50)59)32-3-2-16-53(26-32)35-24-45-37(38(43)56)39(48-35)46-30-6-4-28(5-7-30)29-14-17-51(18-15-29)25-27-12-19-52(20-13-27)31-8-9-33(44-23-31)40(57)47-34-10-11-36(55)49-41(34)58/h4-9,23-24,27,29,32,34H,2-3,10-22,25-26H2,1H3,(H2,43,56)(H,46,48)(H,47,57)(H,49,55,58)/t32-,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H54N12O5
Molecular Weight	806.9556
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:03:27 GMT 2025` Edited by `admin` on `Wed Apr 02 14:03:27 GMT 2025`
Record UNII	HVD6HGW6JD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BTK-IN-24

Preferred Name

English

NX-5948

Code

English

3-[[4-[1-[[1-[6-[[[(3S)-2,6-Dioxo-3-piperidinyl]amino]carbonyl]-3-pyridinyl]-4-piperidinyl]methyl]-4-piperidinyl]phenyl]amino]-5-[(3R)-3-(3-methyl-2-oxo-1-imidazolidinyl)-1-piperidinyl]-2-pyrazinecarboxamide

Systematic Name

English

2-Pyrazinecarboxamide, 3-[[4-[1-[[1-[6-[[[(3S)-2,6-dioxo-3-piperidinyl]amino]carbonyl]-3-pyridinyl]-4-piperidinyl]methyl]-4-piperidinyl]phenyl]amino]-5-[(3R)-3-(3-methyl-2-oxo-1-imidazolidinyl)-1-piperidinyl]-

Systematic Name

English

Code System Code Type Description

SMS_ID

300000039726