3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione (HCID 58981186)

기본 정보

표준 SMILES: CC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC4CC4)c3nn2Cc2ccnc3ccc(Cl)cc23)n(C)c1
InChIKey: FRMIYKCJJMTRES-UHFFFAOYSA-N
분자식: C27H25ClN6O3
평균 분자량: 517 g/mol

이름 및 식별자

우선 이름: 3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
IUPAC: 3-(4-acetyl-1-methylpyrrol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione

이름 및 동의어

CHEMBL2087619SCHEMBL5411118FRMIYKCJJMTRES-UHFFFAOYSA-NBDBM504210423-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

데이터베이스 식별자

PubChem CID: 58981186
ChEMBL: CHEMBL2087619

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 93.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 37
형식 전하: 0
복잡도: 932

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