N-[4-(7-amino-4-{[(dimethylamino)methylene]amino}thieno[3,2-c]pyridin-3-yl)-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamide

HCID 18451398

기본 정보

표준 SMILES
COc1cc(-c2csc3c(N)cnc(N=CN(C)C)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey
KKAWMQQMRBBDQR-UHFFFAOYSA-N
분자식
C27H26N6O2S
평균 분자량
498.6 g/mol

이름 및 식별자

우선 이름
N-[4-(7-amino-4-{[(dimethylamino)methylene]amino}thieno[3,2-c]pyridin-3-yl)-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamide
IUPAC
N-[4-[7-amino-4-(dimethylaminomethylideneamino)thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

이름 및 동의어

SCHEMBL3526957SCHEMBL3526960KKAWMQQMRBBDQR-FJEPWZHXSA-NKKAWMQQMRBBDQR-UHFFFAOYSA-NN-[4-(7-amino-4-{[(1E)-(dimethylamino)methylene]amino}thieno[3,2-c]pyridin-3-yl)-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamideN-[4-(7-amino-4-{[(dimethylamino)methylene]amino }thieno[3,2-c]pyridin-3-yl)-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamideN-[4-(7-amino-4-{[(dimethylamino)methylene]amino}thieno [3,2-c]pyridin-3-yl)-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamideN-[4-(7-amino-4-{[(dimethylamino)methylene]amino}thieno[3,2-c]pyridin-3-yl)-2-methoxyphenyl]-1-methyl-1H-indole-2-carboxamide

데이터베이스 식별자

PubChem CID
18451398

물성

구조 계산 물성

XLogP
4
극성 표면적
126 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
36

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