11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one

HCID 463549

기본 정보

표준 SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CCC(O)C3)nc21
InChIKey
YFMXPUKJKBLXBS-UHFFFAOYSA-N
분자식
C18H21N5O2
평균 분자량
339.4 g/mol

이름 및 식별자

우선 이름
11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one
IUPAC
2-ethyl-5-(3-hydroxypyrrolidin-1-yl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

이름 및 동의어

CHEMBL144851SCHEMBL8889162YFMXPUKJKBLXBS-UHFFFAOYSA-N11-ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one5,11-dihydro-11-ethyl-2-(3- hydroxypyrrolidin-1-yl)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-Dihydro-11-ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

데이터베이스 식별자

PubChem CID
463549
ChEMBL
CHEMBL144851

물성

구조 계산 물성

XLogP
1.7
극성 표면적
81.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
25

관련 반응

4건

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