3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C25H23F2N5OS — CID 139558412

About 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558412) has the molecular formula C25H23F2N5OS and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558412
• Molecular Formula: C25H23F2N5OS
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.16
• IUPAC Name: 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: Cc1ncc(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2C(F)F)s1
• InChI: InChI=1S/C25H23F2N5OS/c1-12-25(33)31(3)11-19-21(30-24(32(12)19)14-7-8-14)15-5-4-6-18-16(15)9-17(23(26)27)22(29-18)20-10-28-13(2)34-20/h4-6,9-10,12,14,23H,7-8,11H2,1-3H3
• InChIKey: ICUFVYYLUGJQPU-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558412) is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

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

The canonical SMILES for 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ncc(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2C(F)F)s1.

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

The InChIKey is ICUFVYYLUGJQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5OS/c1-12-25(33)31(3)11-19-21(30-24(32(12)19)14-7-8-14)15-5-4-6-18-16(15)9-17(23(26)27)22(29-18)20-10-28-13(2)34-20/h4-6,9-10,12,14,23H,7-8,11H2,1-3H3.

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

3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 479.56 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).