(E)-(6-{2-[Methyl-(1-methyl-1H-indol-2-ylmethyl)carbamoyl]vinyl}-2-oxo-1,4-dihydro-2H-pyrido[2,3-d]pyrimidin-3-yl)acetic acid ethyl ester

HCID 66967165

기본 정보

표준 SMILES
CCOC(=O)CN1Cc2cc(/C=C/C(=O)N(C)Cc3cc4ccccc4n3C)cnc2NC1=O
InChIKey
SSJIJLWWWHIGFH-MDZDMXLPSA-N
분자식
C25H27N5O4
평균 분자량
461.5 g/mol
단동위원소 질량
461.20630436

이름 및 식별자

우선 이름
(E)-(6-{2-[Methyl-(1-methyl-1H-indol-2-ylmethyl)carbamoyl]vinyl}-2-oxo-1,4-dihydro-2H-pyrido[2,3-d]pyrimidin-3-yl)acetic acid ethyl ester
IUPAC
ethyl 2-[6-[(E)-3-[methyl-[(1-methylindol-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl]acetate

이름 및 동의어

SCHEMBL1253680SSJIJLWWWHIGFH-MDZDMXLPSA-N(E)-(6-{2-[methyl-(1-methyl-1H-indol-2-ylmethyl)carbamoyl]vinyl}-2-oxo, 1,4-dihydro-2H-pyrido[2,3-d]pyrimidin-3-yl)acetic acid ethyl ester(E)-(6-{2-[Methyl-(1-methyl-1H-indol-2-ylmethyl)carbamoyl]vinyl}-2-oxo-1,4-dihydro-2H-pyrido[2,3-d]pyrimidin-3-yl)acetic acid ethyl ester

데이터베이스 식별자

PubChem CID
66967165

물성

구조 계산 물성

XLogP
1.7
극성 표면적
96.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
34

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5건

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