4-Chloro-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2,6-difluoro-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one

HCID 11951517

기본 정보

표준 SMILES
O=c1ccc2c(Cl)nc(NC(CO)CO)nc2n1-c1c(F)cccc1F
InChIKey
IGUWETCPAMZDQC-UHFFFAOYSA-N
분자식
C16H13ClF2N4O3
평균 분자량
382.75 g/mol
단동위원소 질량
382.0644243

이름 및 식별자

우선 이름
4-Chloro-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2,6-difluoro-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one
IUPAC
4-chloro-8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

이름 및 동의어

SCHEMBL2719564IGUWETCPAMZDQC-UHFFFAOYSA-N4-Chloro-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2,6-difluoro-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one4-Chloro-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2,6-difluorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one4-chloro-8-(2,6-difluorophenyl)-2-{[2-hydroxy-1-(hydroxy-methyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one4-Chloro-8-(2,6-difluorophenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]-amino}pyrido[2,3-d]pyrimidin-7(8H)-one

데이터베이스 식별자

PubChem CID
11951517

물성

구조 계산 물성

XLogP
1.9
극성 표면적
98.6 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
26

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