6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-methyl-5-(1-methyl-piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]-amide (HCID 54762200)

基本情報

標準SMILES: CN1CCC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)CC1
InChIKey: MNTPVFXAPGEGFX-UHFFFAOYSA-N
分子式: C23H28N10O2
平均分子量: 476.5 g/mol
単同位体質量: 476.23967017

名称と識別子

優先名称: 6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-methyl-5-(1-methyl-piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]-amide
IUPAC: 6-cyclopropyl-N-[1-methyl-5-[(1-methylpiperidin-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

名称と別名

CHEMBL3689974SCHEMBL12070156MNTPVFXAPGEGFX-UHFFFAOYSA-NBDBM120641US8703768, 2426-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-methyl-5-(1-methyl-piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]-amide

データベース識別子

PubChem CID: 54762200
ChEMBL: CHEMBL3689974

物性

構造計算による物性

XLogP: 1.3
極性表面積: 143 Å²
水素結合供与体数: 3
水素結合受容体数: 9
回転可能結合数: 7
重原子数: 35
形式電荷: 0
複雑度: 738

化合物ノート

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