5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile

C22H19F2N5O — CID 139570894

IUPAC5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4nc(C#N)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C22H19F2N5O/c1-11-22(30)28(2)10-18-19(27-21(29(11)18)12-6-7-12)13-4-3-5-16-14(13)8-15(20(23)24)17(9-25)26-16/h3-5,8,11-12,20H,6-7,10H2,1-2H3
InChIKeyGTZSAQCHKIXBCF-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.32
Rot. Bonds3

About 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile

5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile (PubChem CID 139570894) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile
PubChem CID139570894
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Name5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4nc(C#N)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C22H19F2N5O/c1-11-22(30)28(2)10-18-19(27-21(29(11)18)12-6-7-12)13-4-3-5-16-14(13)8-15(20(23)24)17(9-25)26-16/h3-5,8,11-12,20H,6-7,10H2,1-2H3
InChIKeyGTZSAQCHKIXBCF-UHFFFAOYSA-N
XLogP4.32
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile?
The IUPAC name of 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile (CID 139570894) is 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile.
What is the SMILES notation for 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile?
The canonical SMILES for 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile is CC1C(=O)N(C)Cc2c(-c3cccc4nc(C#N)c(C(F)F)cc34)nc(C3CC3)n21.
What is the InChIKey of 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile?
The InChIKey is GTZSAQCHKIXBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-11-22(30)28(2)10-18-19(27-21(29(11)18)12-6-7-12)13-4-3-5-16-14(13)8-15(20(23)24)17(9-25)26-16/h3-5,8,11-12,20H,6-7,10H2,1-2H3.
What are the key properties of 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile?
5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile has a molecular weight of 407.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl)-3-(difluoromethyl)quinoline-2-carbonitrile is sourced from PubChem (CID 139570894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).