Irpagratinib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32F2N6O5
Molecular Weight	570.5877
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(OC)=C(F)C(C2=CC3=CN=C(N[C@@H]4COCC[C@@H]4NC(=O)C=C)N=C3C(=N2)N5CC(C)(C5)OC)=C1F

InChI

InChIKey=PGRHEHZIRYNZDV-FUHWJXTLSA-N

InChI=1S/C28H32F2N6O5/c1-6-21(37)32-16-7-8-41-12-18(16)34-27-31-11-15-9-17(22-23(29)19(38-3)10-20(39-4)24(22)30)33-26(25(15)35-27)36-13-28(2,14-36)40-5/h6,9-11,16,18H,1,7-8,12-14H2,2-5H3,(H,32,37)(H,31,34,35)/t16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H32F2N6O5
Molecular Weight	570.5877
Charge	0
Count

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

Approval Year

T_1/2

Value	Dose	Co-administered	Analyte	Population
8.8 h EXPERIMENT https://cslide.ctimeetingtech.com/esmo2023/public/download_uploaded_media/pdf/3000	220 mg 2 times / day multiple, oral dose: 220 mg route of administration: Oral experiment type: MULTIPLE co-administered:		IRPAGRATINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:45:08 GMT 2025` Edited by `admin` on `Wed Apr 02 18:45:08 GMT 2025`
Record UNII	X46B7JM4A8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

irpagratinib [INN]

Preferred Name

English

Irpagratinib

Official Name

English

N-[(3S,4S)-3-[[6-(2,6-Difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino]tetrahydro-2H-pyran-4-yl]-2-propenamide

Systematic Name

English

2-Propenamide, N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(3-methoxy-3-methyl-1-azetidinyl)pyrido[3,4-d]pyrimidin-2-yl]amino]tetrahydro-2H-pyran-4-yl]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

135181440