3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C47H49F2N13O2 — CID 139570970

About 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570970) has the molecular formula C47H49F2N13O2 and a molecular weight of 865.99 g/mol. Its IUPAC name is 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139570970
• Molecular Formula: C47H49F2N13O2
• Molecular Weight: 865.99 g/mol
• Exact Mass: 865.41
• IUPAC Name: 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: CC1C(=O)N(C)Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3Cn3nc(-c4cnn(C)c4)c4cc(-c5nc(C6CC6)n6c5CN(C)C(=O)C6)ccc43)n21
• InChI: InChI=1S/C47H49F2N13O2/c1-25-47(64)56(3)23-39-46(59-12-6-7-27-13-32(30-17-50-57(4)19-30)34(43(48)49)16-37(27)59)53-45(62(25)39)33-15-29(33)21-61-36-11-10-28(14-35(36)41(54-61)31-18-51-58(5)20-31)42-38-22-55(2)40(63)24-60(38)44(52-42)26-8-9-26/h10-11,13-14,16-20,25-26,29,33,43H,6-9,12,15,21-24H2,1-5H3
• InChIKey: XSOJHHFPAWUDEF-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 132.96 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.99
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The IUPAC name of 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570970) is 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

What is the SMILES notation for 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3Cn3nc(-c4cnn(C)c4)c4cc(-c5nc(C6CC6)n6c5CN(C)C(=O)C6)ccc43)n21.

What is the InChIKey of 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The InChIKey is XSOJHHFPAWUDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H49F2N13O2/c1-25-47(64)56(3)23-39-46(59-12-6-7-27-13-32(30-17-50-57(4)19-30)34(43(48)49)16-37(27)59)53-45(62(25)39)33-15-29(33)21-61-36-11-10-28(14-35(36)41(54-61)31-18-51-58(5)20-31)42-38-22-55(2)40(63)24-60(38)44(52-42)26-8-9-26/h10-11,13-14,16-20,25-26,29,33,43H,6-9,12,15,21-24H2,1-5H3.

What are the key properties of 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 865.99 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[5-(3-cyclopropyl-7-methyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(1-methylpyrazol-4-yl)indazol-1-yl]methyl]cyclopropyl]-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139570970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).