5-{7-(cyclopropylmethyl)-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid

HCID 58980980

기본 정보

표준 SMILES
Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)O)cn3C)c(=O)n(C)c(=O)n4CC3CC3)c2c1
InChIKey
GCOOQRAMEAPNQV-UHFFFAOYSA-N
분자식
C26H26N6O4
평균 분자량
486.5 g/mol
단동위원소 질량
486.20155333

이름 및 식별자

우선 이름
5-{7-(cyclopropylmethyl)-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid
IUPAC
5-[7-(cyclopropylmethyl)-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carboxylic acid

이름 및 동의어

SCHEMBL5395354GCOOQRAMEAPNQV-UHFFFAOYSA-N5-{7-(cyclopropylmethyl)-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid5-{7-(cyclopropylmethyl)-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylic acid

데이터베이스 식별자

PubChem CID
58980980

물성

구조 계산 물성

XLogP
2.3
극성 표면적
116 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
36

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4건

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