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

C24H23F2N7O — CID 139558224

IUPAC3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-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)nn1
InChIInChI=1S/C24H23F2N7O/c1-12-10-32(30-29-12)23-17(21(25)26)9-16-15(5-4-6-18(16)27-23)20-19-11-31(3)24(34)13(2)33(19)22(28-20)14-7-8-14/h4-6,9-10,13-14,21H,7-8,11H2,1-3H3
InChIKeyQQUFYDKFQLICRA-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.34
Rot. Bonds4

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

3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558224) has the molecular formula C24H23F2N7O and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-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-methyltriazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558224
Molecular FormulaC24H23F2N7O
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-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)nn1
InChIInChI=1S/C24H23F2N7O/c1-12-10-32(30-29-12)23-17(21(25)26)9-16-15(5-4-6-18(16)27-23)20-19-11-31(3)24(34)13(2)33(19)22(28-20)14-7-8-14/h4-6,9-10,13-14,21H,7-8,11H2,1-3H3
InChIKeyQQUFYDKFQLICRA-UHFFFAOYSA-N
XLogP4.34
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-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-methyltriazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558224) is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-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-methyltriazol-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-methyltriazol-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)nn1.
What is the InChIKey of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is QQUFYDKFQLICRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O/c1-12-10-32(30-29-12)23-17(21(25)26)9-16-15(5-4-6-18(16)27-23)20-19-11-31(3)24(34)13(2)33(19)22(28-20)14-7-8-14/h4-6,9-10,13-14,21H,7-8,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 463.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-(difluoromethyl)-2-(4-methyltriazol-1-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).