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

C23H22F2N6O3 — CID 166596094

IUPAC3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3cccc4nc(C5NOC(=O)N5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C23H22F2N6O3/c1-10-22(32)30(2)9-16-17(27-21(31(10)16)11-6-7-11)12-4-3-5-15-13(12)8-14(19(24)25)18(26-15)20-28-23(33)34-29-20/h3-5,8,10-11,19-20,29H,6-7,9H2,1-2H3,(H,28,33)/t10-,20?/m0/s1
InChIKeyWGRCWRNTKOVBSI-SMNKDYLDSA-N
MW468.46 g/mol
LogP3.69
Rot. Bonds4

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

3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 166596094) has the molecular formula C23H22F2N6O3 and a molecular weight of 468.46 g/mol. Its IUPAC name is 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID166596094
Molecular FormulaC23H22F2N6O3
Molecular Weight468.46 g/mol
Exact Mass468.17
IUPAC Name3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3cccc4nc(C5NOC(=O)N5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C23H22F2N6O3/c1-10-22(32)30(2)9-16-17(27-21(31(10)16)11-6-7-11)12-4-3-5-15-13(12)8-14(19(24)25)18(26-15)20-28-23(33)34-29-20/h3-5,8,10-11,19-20,29H,6-7,9H2,1-2H3,(H,28,33)/t10-,20?/m0/s1
InChIKeyWGRCWRNTKOVBSI-SMNKDYLDSA-N
XLogP3.69
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one (CID 166596094) is 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one is C[C@H]1C(=O)N(C)Cc2c(-c3cccc4nc(C5NOC(=O)N5)c(C(F)F)cc34)nc(C3CC3)n21.
What is the InChIKey of 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is WGRCWRNTKOVBSI-SMNKDYLDSA-N. The full InChI is InChI=1S/C23H22F2N6O3/c1-10-22(32)30(2)9-16-17(27-21(31(10)16)11-6-7-11)12-4-3-5-15-13(12)8-14(19(24)25)18(26-15)20-28-23(33)34-29-20/h3-5,8,10-11,19-20,29H,6-7,9H2,1-2H3,(H,28,33)/t10-,20?/m0/s1.
What are the key properties of 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one?
3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 468.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5S)-3-cyclopropyl-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethyl)quinolin-2-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 166596094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).