(5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C106H110F6N24O8 — CID 159474568

IUPAC(5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2[C@@H](F)C1=O.CN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2[C@H](F)C1=O.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)cccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)cccc2nc1-c1cnn(C)c1
InChIInChI=1S/2C27H30N6O2.2C26H25F3N6O2/c2*1-16-12-21-20(6-5-7-22(21)29-24(16)19-13-28-32(4)14-19)25-23-15-31(3)27(34)17(2)33(23)26(30-25)18-8-10-35-11-9-18;2*1-33-13-20-22(32-25(14-6-8-37-9-7-14)35(20)24(29)26(33)36)16-4-3-5-19-17(16)10-18(23(27)28)21(31-19)15-11-30-34(2)12-15/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*3-5,10-12,14,23-24H,6-9,13H2,1-2H3/t2*17-;2*24-/m1010/s1
InChIKeyLWFIORTYUJIWBC-JSOQGNSYSA-N
MW1962.19 g/mol
LogP18.01
Rot. Bonds14

About (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

(5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 159474568) has the molecular formula C106H110F6N24O8 and a molecular weight of 1962.19 g/mol. Its IUPAC name is (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID159474568
Molecular FormulaC106H110F6N24O8
Molecular Weight1962.19 g/mol
Exact Mass1960.88
IUPAC Name(5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2[C@@H](F)C1=O.CN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2[C@H](F)C1=O.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)cccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)cccc2nc1-c1cnn(C)c1
InChIInChI=1S/2C27H30N6O2.2C26H25F3N6O2/c2*1-16-12-21-20(6-5-7-22(21)29-24(16)19-13-28-32(4)14-19)25-23-15-31(3)27(34)17(2)33(23)26(30-25)18-8-10-35-11-9-18;2*1-33-13-20-22(32-25(14-6-8-37-9-7-14)35(20)24(29)26(33)36)16-4-3-5-19-17(16)10-18(23(27)28)21(31-19)15-11-30-34(2)12-15/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*3-5,10-12,14,23-24H,6-9,13H2,1-2H3/t2*17-;2*24-/m1010/s1
InChIKeyLWFIORTYUJIWBC-JSOQGNSYSA-N
XLogP18.01
TPSA312.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.19
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10899769, Example 89a
CID 139558251
US11058688, Example 65
CID 139530472
US11058688, Example 123
CID 139543520
US10899769, Example 23
CID 139558195
US10899769, Example 84
CID 139558225
US10899769, Example 81
CID 139558231
US10899769, Example 79
CID 139558291
US10899769, Example 27
CID 139558303
US10899769, Example 64a
CID 139558309
US10899769, Example 95
CID 139558315
US10899769, Example 80
CID 139558334
US10899769, Example 91a
CID 139558391

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 159474568) is (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2[C@@H](F)C1=O.CN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n2[C@H](F)C1=O.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@@H]4C)cccc2nc1-c1cnn(C)c1.Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)[C@H]4C)cccc2nc1-c1cnn(C)c1.
What is the InChIKey of (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is LWFIORTYUJIWBC-JSOQGNSYSA-N. The full InChI is InChI=1S/2C27H30N6O2.2C26H25F3N6O2/c2*1-16-12-21-20(6-5-7-22(21)29-24(16)19-13-28-32(4)14-19)25-23-15-31(3)27(34)17(2)33(23)26(30-25)18-8-10-35-11-9-18;2*1-33-13-20-22(32-25(14-6-8-37-9-7-14)35(20)24(29)26(33)36)16-4-3-5-19-17(16)10-18(23(27)28)21(31-19)15-11-30-34(2)12-15/h2*5-7,12-14,17-18H,8-11,15H2,1-4H3;2*3-5,10-12,14,23-24H,6-9,13H2,1-2H3/t2*17-;2*24-/m1010/s1.
What are the key properties of (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 1962.19 g/mol, XLogP of 18.01, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-fluoro-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5R)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;(5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 159474568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).