N4-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-N1-methyl-N1-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2,4-triamine (HCID 86677275)

기본 정보

표준 SMILES: COc1cc(N(C)CCN2CCN(C)CC2)c(N)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1
InChIKey: LJYJVLNXQVSNEM-UHFFFAOYSA-N
분자식: C26H32ClN9O
평균 분자량: 522 g/mol

이름 및 식별자

우선 이름: N4-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-N1-methyl-N1-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2,4-triamine
IUPAC: 4-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-1-N-methyl-1-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2,4-triamine

이름 및 동의어

SCHEMBL17384813SCHEMBL29974174LJYJVLNXQVSNEM-UHFFFAOYSA-NDB-1596111421372-73-7N4-(5-chloro-4-(pyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl)-5-methoxy-N1-methyl-N1-(2-(4-methylpiperazin-1-yl)ethyl)benzene-1,2,4-triamineN4-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-5-methoxy-N1-methyl-N1-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2,4-triamine

데이터베이스 식별자

PubChem CID: 86677275

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 100 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 9
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 714

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