4-chloro-8-(2,4-difluorophenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
기본 정보
- 표준 SMILES
O=c1ccc2c(Cl)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F- InChIKey
LQIKFRHBPMUUHY-UHFFFAOYSA-N- 분자식
- C16H13ClF2N4O3
- 평균 분자량
- 382.75 g/mol
- 단동위원소 질량
- 382.0644243
이름 및 식별자
- 우선 이름
- 4-chloro-8-(2,4-difluorophenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
- IUPAC
- 4-chloro-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
이름 및 동의어
SCHEMBL2718368LQIKFRHBPMUUHY-UHFFFAOYSA-N4-Chloro-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2, 4-difluoro-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one4-Chloro-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2,4-difluoro-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one4-Chloro-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2,4-difluorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one4-chloro-8-(2,4-difluorophenyl)-2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
데이터베이스 식별자
- PubChem CID
- 11951516
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
- 형식 전하
- 0
- 복잡도
- 540
관련 반응
13건
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