2-(1-hydroxymethyl-1-methyl-2-hydroxyethyl amino)-4-(4-fluoro-2-methylphenyl)-8-(2,6-difluorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one

HCID 59639563

기본 정보

표준 SMILES
Cc1cc(F)ccc1-c1nc(NC(C)(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIKey
OITXOMUSRVKJES-UHFFFAOYSA-N
분자식
C24H21F3N4O3
평균 분자량
470.4 g/mol

이름 및 식별자

우선 이름
2-(1-hydroxymethyl-1-methyl-2-hydroxyethyl amino)-4-(4-fluoro-2-methylphenyl)-8-(2,6-difluorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC
8-(2,6-difluorophenyl)-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

이름 및 동의어

SCHEMBL1066890OITXOMUSRVKJES-UHFFFAOYSA-N2-(1-hydroxymethyl-1-methyl-2-hydroxyethyl amino)-4-(4-fluoro-2-methylphenyl)-8-(2,6-difluorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one2-(1-hydroxymethyl-1-methyl-2-hydroxyethylamino)-4-(4-fluoro-2-methylphenyl)-8-(2,6-difluorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one

데이터베이스 식별자

PubChem CID
59639563

물성

구조 계산 물성

XLogP
3.2
극성 표면적
98.6 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
34

관련 반응

5건

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