7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C344H381N103O73S — CID 157368627

About 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157368627) has the molecular formula C344H381N103O73S and a molecular weight of 7158.55 g/mol. Its IUPAC name is 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 157368627
• Molecular Formula: C344H381N103O73S
• Molecular Weight: 7158.55 g/mol
• Exact Mass: 7153.90
• IUPAC Name: 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: C.C.C.C.C.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)CC1.CC(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1.CC(C)(C)N1C[C@H](NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1=O.CC(C)N1C[C@H](NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1=O.CN1C[C@H](NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1=O.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCCCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCN(C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCNCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC(C)(C)C.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC1CN(S(C)(=O)=O)C1
• InChI: InChI=1S/C27H32N8O5.C26H28N6O5.C25H26N8O6.C25H28N8O5.C25H27N7O5.C24H26N8O7S.2C24H26N8O5.2C24H25N7O5.C24H27N7O5.2C23H23N7O5.C21H19N7O5.5CH4/c1-16(27(39)34-10-7-18(8-11-34)33(2)3)30-26(38)21-13-20(31-23-6-9-29-35(21)23)25(37)28-14-17-4-5-22-19(12-17)32-24(36)15-40-22;1-15(33)18-5-2-16(3-6-18)12-28-26(36)21-11-20(30-23-8-9-29-32(21)23)25(35)27-13-17-4-7-22-19(10-17)31-24(34)14-37-22;1-13(23(36)29-16-10-32(11-16)14(2)34)28-25(38)19-8-18(30-21-5-6-27-33(19)21)24(37)26-9-15-3-4-20-17(7-15)31-22(35)12-39-20;1-15(25(37)32-9-7-31(2)8-10-32)28-24(36)19-12-18(29-21-5-6-27-33(19)21)23(35)26-13-16-3-4-20-17(11-16)30-22(34)14-38-20;1-15(25(36)31-9-3-2-4-10-31)28-24(35)19-12-18(29-21-7-8-27-32(19)21)23(34)26-13-16-5-6-20-17(11-16)30-22(33)14-37-20;1-13(22(34)28-15-10-31(11-15)40(2,37)38)27-24(36)18-8-17(29-20-5-6-26-32(18)20)23(35)25-9-14-3-4-19-16(7-14)30-21(33)12-39-19;1-13(22(34)28-15-10-31(2)11-15)27-24(36)18-8-17(29-20-5-6-26-32(18)20)23(35)25-9-14-3-4-19-16(7-14)30-21(33)12-37-19;1-14(24(36)31-8-6-25-7-9-31)28-23(35)18-11-17(29-20-4-5-27-32(18)20)22(34)26-12-15-2-3-19-16(10-15)30-21(33)13-37-19;1-24(2,3)30-11-16(23(30)35)29-22(34)17-9-15(27-19-6-7-26-31(17)19)21(33)25-10-13-4-5-18-14(8-13)28-20(32)12-36-18;1-13(22(33)28-15-3-2-4-15)27-24(35)18-10-17(29-20-7-8-26-31(18)20)23(34)25-11-14-5-6-19-16(9-14)30-21(32)12-36-19;1-13(21(33)30-24(2,3)4)27-23(35)17-10-16(28-19-7-8-26-31(17)19)22(34)25-11-14-5-6-18-15(9-14)29-20(32)12-36-18;1-12(2)29-10-16(23(29)34)28-22(33)17-8-15(26-19-5-6-25-30(17)19)21(32)24-9-13-3-4-18-14(7-13)27-20(31)11-35-18;1-13(23(34)29-7-2-8-29)26-22(33)17-10-16(27-19-5-6-25-30(17)19)21(32)24-11-14-3-4-18-15(9-14)28-20(31)12-35-18;1-27-9-14(21(27)32)26-20(31)15-7-13(24-17-4-5-23-28(15)17)19(30)22-8-11-2-3-16-12(6-11)25-18(29)10-33-16;;;;;/h4-6,9,12-13,16,18H,7-8,10-11,14-15H2,1-3H3,(H,28,37)(H,30,38)(H,32,36);4,7-11,16,18H,2-3,5-6,12-14H2,1H3,(H,27,35)(H,28,36)(H,31,34);3-8,13,16H,9-12H2,1-2H3,(H,26,37)(H,28,38)(H,29,36)(H,31,35);3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,35)(H,28,36)(H,30,34);5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,26,34)(H,28,35)(H,30,33);3-8,13,15H,9-12H2,1-2H3,(H,25,35)(H,27,36)(H,28,34)(H,30,33);3-8,13,15H,9-12H2,1-2H3,(H,25,35)(H,27,36)(H,28,34)(H,30,33);2-5,10-11,14,25H,6-9,12-13H2,1H3,(H,26,34)(H,28,35)(H,30,33);4-9,16H,10-12H2,1-3H3,(H,25,33)(H,28,32)(H,29,34);5-10,13,15H,2-4,11-12H2,1H3,(H,25,34)(H,27,35)(H,28,33)(H,30,32);5-10,13H,11-12H2,1-4H3,(H,25,34)(H,27,35)(H,29,32)(H,30,33);3-8,12,16H,9-11H2,1-2H3,(H,24,32)(H,27,31)(H,28,33);3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,24,32)(H,26,33)(H,28,31);2-7,14H,8-10H2,1H3,(H,22,30)(H,25,29)(H,26,31);5*1H4/t16-;;13-;2*15-;2*13-;14-;16-;2*13-;16-;13-;14-;;;;;/m0.000000000000...../s1
• InChIKey: BJMHHZKPPQBEQI-OSYWIZIASA-N
• XLogP: 7.13
• TPSA: 2178.57 Ų
• H-Bond Donors: 48
• H-Bond Acceptors: 119
• Rotatable Bonds: 89
• Heavy Atoms: 521
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	7158.55
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	48
H-Bond Acceptors ≤ 10	119

Frequently Asked Questions

What is the IUPAC name of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157368627) is 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C.C.C.C.C.CC(=O)C1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)CC1.CC(=O)N1CC(NC(=O)[C@H](C)NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1.CC(C)(C)N1C[C@H](NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1=O.CC(C)N1C[C@H](NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1=O.CN1C[C@H](NC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3ccnn23)C1=O.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCC(N(C)C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCCCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCN(C)CC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)N1CCNCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC(C)(C)C.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC1CCC1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC1CN(C)C1.C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12)C(=O)NC1CN(S(C)(=O)=O)C1.

What is the InChIKey of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is BJMHHZKPPQBEQI-OSYWIZIASA-N. The full InChI is InChI=1S/C27H32N8O5.C26H28N6O5.C25H26N8O6.C25H28N8O5.C25H27N7O5.C24H26N8O7S.2C24H26N8O5.2C24H25N7O5.C24H27N7O5.2C23H23N7O5.C21H19N7O5.5CH4/c1-16(27(39)34-10-7-18(8-11-34)33(2)3)30-26(38)21-13-20(31-23-6-9-29-35(21)23)25(37)28-14-17-4-5-22-19(12-17)32-24(36)15-40-22;1-15(33)18-5-2-16(3-6-18)12-28-26(36)21-11-20(30-23-8-9-29-32(21)23)25(35)27-13-17-4-7-22-19(10-17)31-24(34)14-37-22;1-13(23(36)29-16-10-32(11-16)14(2)34)28-25(38)19-8-18(30-21-5-6-27-33(19)21)24(37)26-9-15-3-4-20-17(7-15)31-22(35)12-39-20;1-15(25(37)32-9-7-31(2)8-10-32)28-24(36)19-12-18(29-21-5-6-27-33(19)21)23(35)26-13-16-3-4-20-17(11-16)30-22(34)14-38-20;1-15(25(36)31-9-3-2-4-10-31)28-24(35)19-12-18(29-21-7-8-27-32(19)21)23(34)26-13-16-5-6-20-17(11-16)30-22(33)14-37-20;1-13(22(34)28-15-10-31(11-15)40(2,37)38)27-24(36)18-8-17(29-20-5-6-26-32(18)20)23(35)25-9-14-3-4-19-16(7-14)30-21(33)12-39-19;1-13(22(34)28-15-10-31(2)11-15)27-24(36)18-8-17(29-20-5-6-26-32(18)20)23(35)25-9-14-3-4-19-16(7-14)30-21(33)12-37-19;1-14(24(36)31-8-6-25-7-9-31)28-23(35)18-11-17(29-20-4-5-27-32(18)20)22(34)26-12-15-2-3-19-16(10-15)30-21(33)13-37-19;1-24(2,3)30-11-16(23(30)35)29-22(34)17-9-15(27-19-6-7-26-31(17)19)21(33)25-10-13-4-5-18-14(8-13)28-20(32)12-36-18;1-13(22(33)28-15-3-2-4-15)27-24(35)18-10-17(29-20-7-8-26-31(18)20)23(34)25-11-14-5-6-19-16(9-14)30-21(32)12-36-19;1-13(21(33)30-24(2,3)4)27-23(35)17-10-16(28-19-7-8-26-31(17)19)22(34)25-11-14-5-6-18-15(9-14)29-20(32)12-36-18;1-12(2)29-10-16(23(29)34)28-22(33)17-8-15(26-19-5-6-25-30(17)19)21(32)24-9-13-3-4-18-14(7-13)27-20(31)11-35-18;1-13(23(34)29-7-2-8-29)26-22(33)17-10-16(27-19-5-6-25-30(17)19)21(32)24-11-14-3-4-18-15(9-14)28-20(31)12-35-18;1-27-9-14(21(27)32)26-20(31)15-7-13(24-17-4-5-23-28(15)17)19(30)22-8-11-2-3-16-12(6-11)25-18(29)10-33-16;;;;;/h4-6,9,12-13,16,18H,7-8,10-11,14-15H2,1-3H3,(H,28,37)(H,30,38)(H,32,36);4,7-11,16,18H,2-3,5-6,12-14H2,1H3,(H,27,35)(H,28,36)(H,31,34);3-8,13,16H,9-12H2,1-2H3,(H,26,37)(H,28,38)(H,29,36)(H,31,35);3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,26,35)(H,28,36)(H,30,34);5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,26,34)(H,28,35)(H,30,33);3-8,13,15H,9-12H2,1-2H3,(H,25,35)(H,27,36)(H,28,34)(H,30,33);3-8,13,15H,9-12H2,1-2H3,(H,25,35)(H,27,36)(H,28,34)(H,30,33);2-5,10-11,14,25H,6-9,12-13H2,1H3,(H,26,34)(H,28,35)(H,30,33);4-9,16H,10-12H2,1-3H3,(H,25,33)(H,28,32)(H,29,34);5-10,13,15H,2-4,11-12H2,1H3,(H,25,34)(H,27,35)(H,28,33)(H,30,32);5-10,13H,11-12H2,1-4H3,(H,25,34)(H,27,35)(H,29,32)(H,30,33);3-8,12,16H,9-11H2,1-2H3,(H,24,32)(H,27,31)(H,28,33);3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,24,32)(H,26,33)(H,28,31);2-7,14H,8-10H2,1H3,(H,22,30)(H,25,29)(H,26,31);5*1H4/t16-;;13-;2*15-;2*13-;14-;16-;2*13-;16-;13-;14-;;;;;/m0.000000000000...../s1.

What are the key properties of 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 7158.55 g/mol, XLogP of 7.13, 89 rotatable bonds, 48 hydrogen bond donors, and 119 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[(2S)-1-[(1-acetylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(azetidin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(2S)-1-[(1-methylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3S)-1-methyl-2-oxoazetidin-3-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2S)-1-[(1-methylsulfonylazetidin-3-yl)amino]-1-oxopropan-2-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[(3S)-2-oxo-1-propan-2-ylazetidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157368627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).