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

C24H21F2N5O2 — CID 139558239

IUPAC3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5ncco5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C24H21F2N5O2/c1-12-24(32)30(2)11-18-19(29-22(31(12)18)13-6-7-13)14-4-3-5-17-15(14)10-16(21(25)26)20(28-17)23-27-8-9-33-23/h3-5,8-10,12-13,21H,6-7,11H2,1-2H3
InChIKeyNFMDDLDYDOZPGW-UHFFFAOYSA-N
MW449.46 g/mol
LogP5.10
Rot. Bonds4

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

3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558239) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-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-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558239
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5ncco5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C24H21F2N5O2/c1-12-24(32)30(2)11-18-19(29-22(31(12)18)13-6-7-13)14-4-3-5-17-15(14)10-16(21(25)26)20(28-17)23-27-8-9-33-23/h3-5,8-10,12-13,21H,6-7,11H2,1-2H3
InChIKeyNFMDDLDYDOZPGW-UHFFFAOYSA-N
XLogP5.10
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-6-methyl-N-[(1S)-1-[5-[2-(1,3-oxazol-2-yl)quinolin-6-yl]-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506689
[(3S,4S)-3-methyl-1-[7-(1,3-oxazol-2-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134265003
[(3S,4S)-1-[3-chloro-7-(1,3-oxazol-2-yl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134266875
[(3S,4S)-1-[3-chloro-7-(1,3-oxazol-2-yl)quinolin-4-yl]-3-methylpiperidin-4-yl]-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134276058
(1S,2S,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343616
2-(4-ethylimidazol-1-yl)-9-(1,3-oxazol-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335640
2-(4-cyclopropylimidazol-1-yl)-9-(1,3-oxazol-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 73335920
[(3S,4S)-3-methyl-1-[7-(4-methyl-1,3-oxazol-2-yl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264988
US10214519, Example 200
CID 134361690
US10214519, Example 230
CID 134361801
US10214519, Example 213
CID 134371906
US10214519, Example 214
CID 134371907

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-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-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558239) is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-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-oxazol-2-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-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5ncco5)c(C(F)F)cc34)nc(C3CC3)n21.
What is the InChIKey of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is NFMDDLDYDOZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-12-24(32)30(2)11-18-19(29-22(31(12)18)13-6-7-13)14-4-3-5-17-15(14)10-16(21(25)26)20(28-17)23-27-8-9-33-23/h3-5,8-10,12-13,21H,6-7,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 449.46 g/mol, XLogP of 5.10, 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-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).