3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide

C27H28F2N8O2 — CID 139558274

About 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide

3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide (PubChem CID 139558274) has the molecular formula C27H28F2N8O2 and a molecular weight of 534.57 g/mol. Its IUPAC name is 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide
• PubChem CID: 139558274
• Molecular Formula: C27H28F2N8O2
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.23
• IUPAC Name: 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide
• SMILES: CNC(=O)N1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1
• InChI: InChI=1S/C27H28F2N8O2/c1-14-26(38)34(3)13-21-23(33-25(37(14)21)16-11-36(12-16)27(39)30-2)17-6-5-7-20-18(17)8-19(24(28)29)22(32-20)15-9-31-35(4)10-15/h5-10,14,16,24H,11-13H2,1-4H3,(H,30,39)
• InChIKey: GXLLGLSOSUDSBR-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 101.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide?

The IUPAC name of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide (CID 139558274) is 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide.

What is the SMILES notation for 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide?

The canonical SMILES for 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide is CNC(=O)N1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.

What is the InChIKey of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide?

The InChIKey is GXLLGLSOSUDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N8O2/c1-14-26(38)34(3)13-21-23(33-25(37(14)21)16-11-36(12-16)27(39)30-2)17-6-5-7-20-18(17)8-19(24(28)29)22(32-20)15-9-31-35(4)10-15/h5-10,14,16,24H,11-13H2,1-4H3,(H,30,39).

What are the key properties of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide?

3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide has a molecular weight of 534.57 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 139558274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).