(6S)-3-{3-[(8R)-6-(2-Chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]prop-1-yn-1-yl}-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

HCID 66865111
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기본 정보

표준 SMILES
C[C@@]1(c2cc(F)cc(F)c2)CN(CCCl)C2(CCCC2)C(=O)N1CC#Cc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIKey
LYFCGADSCZDGIQ-LQJZCPKCSA-N
분자식
C34H32ClF2N5O2
평균 분자량
616.1 g/mol
단동위원소 질량
615.2212593

이름 및 식별자

우선 이름
(6S)-3-{3-[(8R)-6-(2-Chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]prop-1-yn-1-yl}-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
IUPAC
(3S)-3'-[3-[(8R)-6-(2-chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one

이름 및 동의어

SCHEMBL979196LYFCGADSCZDGIQ-LQJZCPKCSA-N(6S)-3-{3-[(8R)-6-(2-chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5] dec-9-yl]prop-1-yn-1-yl}-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one(6S)-3-{3-[(8R)-6-(2-Chloroethyl)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]prop-1-yn-1-yl}-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

데이터베이스 식별자

PubChem CID
66865111

물성

구조 계산 물성

XLogP
3.9
극성 표면적
78.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
44

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