3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C25H23F4N7O — CID 139530538

About 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530538) has the molecular formula C25H23F4N7O and a molecular weight of 513.50 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• PubChem CID: 139530538
• Molecular Formula: C25H23F4N7O
• Molecular Weight: 513.50 g/mol
• Exact Mass: 513.19
• IUPAC Name: 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• SMILES: CNC(=O)N1CCn2c(C3CC3(F)F)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1
• InChI: InChI=1S/C25H23F4N7O/c1-30-24(37)35-6-7-36-19(12-35)21(33-23(36)17-9-25(17,28)29)14-4-3-5-18-15(14)8-16(22(26)27)20(32-18)13-10-31-34(2)11-13/h3-5,8,10-11,17,22H,6-7,9,12H2,1-2H3,(H,30,37)
• InChIKey: KWTWZXFQBWJBEU-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.50
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The IUPAC name of 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530538) is 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The canonical SMILES for 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3(F)F)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1.

What is the InChIKey of 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The InChIKey is KWTWZXFQBWJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N7O/c1-30-24(37)35-6-7-36-19(12-35)21(33-23(36)17-9-25(17,28)29)14-4-3-5-18-15(14)8-16(22(26)27)20(32-18)13-10-31-34(2)11-13/h3-5,8,10-11,17,22H,6-7,9,12H2,1-2H3,(H,30,37).

What are the key properties of 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 513.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-difluorocyclopropyl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).