3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C25H24F2N6O — CID 139558244

IUPAC3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2C(F)F)cn1
InChIInChI=1S/C25H24F2N6O/c1-13-10-32(12-28-13)24-18(22(26)27)9-17-16(5-4-6-19(17)29-24)21-20-11-31(3)25(34)14(2)33(20)23(30-21)15-7-8-15/h4-6,9-10,12,14-15,22H,7-8,11H2,1-3H3
InChIKeyBVNSMRUDPSJEIU-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.94
Rot. Bonds4

About 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558244) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558244
Molecular FormulaC25H24F2N6O
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2C(F)F)cn1
InChIInChI=1S/C25H24F2N6O/c1-13-10-32(12-28-13)24-18(22(26)27)9-17-16(5-4-6-19(17)29-24)21-20-11-31(3)25(34)14(2)33(20)23(30-21)15-7-8-15/h4-6,9-10,12,14-15,22H,7-8,11H2,1-3H3
InChIKeyBVNSMRUDPSJEIU-UHFFFAOYSA-N
XLogP4.94
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-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-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558244) is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-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-(4-methylimidazol-1-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-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1cn(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2C(F)F)cn1.
What is the InChIKey of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is BVNSMRUDPSJEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O/c1-13-10-32(12-28-13)24-18(22(26)27)9-17-16(5-4-6-19(17)29-24)21-20-11-31(3)25(34)14(2)33(20)23(30-21)15-7-8-15/h4-6,9-10,12,14-15,22H,7-8,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 462.50 g/mol, XLogP of 4.94, 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-(4-methylimidazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).