N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H29ClFN5O2
Molecular Weight	510.003
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE

Structure Search

SMILES

CN1CCC2(CC(COC3=CC4=C(C=C3NC(=O)C=C)C(NC5=CC=C(F)C(Cl)=C5)=NC=N4)C2)CC1

InChI

InChIKey=KJBZQIKLKWQVLL-UHFFFAOYSA-N

InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C27H29ClFN5O2
Molecular Weight	510.003
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:06:23 GMT 2023` Edited by `admin` on `Sat Dec 16 09:06:23 GMT 2023`
Record UNII	M8R6ETA52F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE

Systematic Name

English

Pirotinib [WHO-DD]

Common Name

English

2-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NON-2-YL)METHOXY)-6-QUINAZOLINYL)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825