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

C26H26F2N6O — CID 139558457

IUPAC3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1nn(C)cc1-c1nc2cccc(-c3nc(C4CC4)n4c3CN(C)C(=O)C4C)c2cc1C(F)F
InChIInChI=1S/C26H26F2N6O/c1-13-19(11-33(4)31-13)22-18(24(27)28)10-17-16(6-5-7-20(17)29-22)23-21-12-32(3)26(35)14(2)34(21)25(30-23)15-8-9-15/h5-7,10-11,14-15,24H,8-9,12H2,1-4H3
InChIKeyZTGCZUISBHLGKD-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.16
Rot. Bonds4

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

3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558457) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558457
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1nn(C)cc1-c1nc2cccc(-c3nc(C4CC4)n4c3CN(C)C(=O)C4C)c2cc1C(F)F
InChIInChI=1S/C26H26F2N6O/c1-13-19(11-33(4)31-13)22-18(24(27)28)10-17-16(6-5-7-20(17)29-22)23-21-12-32(3)26(35)14(2)34(21)25(30-23)15-8-9-15/h5-7,10-11,14-15,24H,8-9,12H2,1-4H3
InChIKeyZTGCZUISBHLGKD-UHFFFAOYSA-N
XLogP5.16
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558457) is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1nn(C)cc1-c1nc2cccc(-c3nc(C4CC4)n4c3CN(C)C(=O)C4C)c2cc1C(F)F.
What is the InChIKey of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is ZTGCZUISBHLGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-13-19(11-33(4)31-13)22-18(24(27)28)10-17-16(6-5-7-20(17)29-22)23-21-12-32(3)26(35)14(2)34(21)25(30-23)15-8-9-15/h5-7,10-11,14-15,24H,8-9,12H2,1-4H3.
What are the key properties of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 476.53 g/mol, XLogP of 5.16, 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-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).