(5,11-Dihydro-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone

HCID 9824954

기본 정보

표준 SMILES
Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1
InChIKey
FOMNYBUNFIUPHX-UHFFFAOYSA-N
분자식
C24H18F3N5O
평균 분자량
449.4 g/mol
단동위원소 질량
449.1463447

이름 및 식별자

우선 이름
(5,11-Dihydro-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone
IUPAC
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-[4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanone

이름 및 동의어

CHEMBL201889(5,11-Dihydro-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanoneSCHEMBL6614886BDBM50177592WAY 141608(5,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)-[4-(3-methyl-pyrazol-1-yl)-2-trifluoromethyl-phenyl]-methanone[4-(3-Methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone

데이터베이스 식별자

PubChem CID
9824954
ChEMBL
CHEMBL201889

물성

구조 계산 물성

XLogP
4.6
극성 표면적
63.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
33

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