1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

C115H129F5N24O4 — CID 158102377

IUPAC1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CC(C)(F)C3)nc(-c3cccc4cc(-c5ccn(C)n5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(-c5cn(C)nc5C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1
InChIInChI=1S/2C30H35FN6O.C28H30F2N6O.C27H29FN6O/c1-5-27(38)36-13-14-37-26(18-36)28(33-29(37)20-9-11-30(3,31)12-10-20)22-8-6-7-21-15-25(32-16-23(21)22)24-17-35(4)34-19(24)2;1-5-26(38)36-13-14-37-25(18-36)28(34-29(37)20-9-11-30(3,31)12-10-20)22-7-6-8-24-23(22)15-19(2)27(33-24)21-16-32-35(4)17-21;1-5-24(37)35-8-9-36-23(15-35)26(32-27(36)19-11-28(29,30)12-19)25-16(2)6-7-18-10-22(31-13-20(18)25)21-14-34(4)33-17(21)3;1-4-24(35)33-10-11-34-23(16-33)25(30-26(34)18-13-27(2,28)14-18)19-7-5-6-17-12-22(29-15-20(17)19)21-8-9-32(3)31-21/h2*6-8,15-17,20H,5,9-14,18H2,1-4H3;6-7,10,13-14,19H,5,8-9,11-12,15H2,1-4H3;5-9,12,15,18H,4,10-11,13-14,16H2,1-3H3
InChIKeyFPKPFKNBMUVVBB-UHFFFAOYSA-N
MW2006.45 g/mol
LogP22.13
Rot. Bonds16

About 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 158102377) has the molecular formula C115H129F5N24O4 and a molecular weight of 2006.45 g/mol. Its IUPAC name is 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
PubChem CID158102377
Molecular FormulaC115H129F5N24O4
Molecular Weight2006.45 g/mol
Exact Mass2005.05
IUPAC Name1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CC(C)(F)C3)nc(-c3cccc4cc(-c5ccn(C)n5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(-c5cn(C)nc5C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1
InChIInChI=1S/2C30H35FN6O.C28H30F2N6O.C27H29FN6O/c1-5-27(38)36-13-14-37-26(18-36)28(33-29(37)20-9-11-30(3,31)12-10-20)22-8-6-7-21-15-25(32-16-23(21)22)24-17-35(4)34-19(24)2;1-5-26(38)36-13-14-37-25(18-36)28(34-29(37)20-9-11-30(3,31)12-10-20)22-7-6-8-24-23(22)15-19(2)27(33-24)21-16-32-35(4)17-21;1-5-24(37)35-8-9-36-23(15-35)26(32-27(36)19-11-28(29,30)12-19)25-16(2)6-7-18-10-22(31-13-20(18)25)21-14-34(4)33-17(21)3;1-4-24(35)33-10-11-34-23(16-33)25(30-26(34)18-13-27(2,28)14-18)19-7-5-6-17-12-22(29-15-20(17)19)21-8-9-32(3)31-21/h2*6-8,15-17,20H,5,9-14,18H2,1-4H3;6-7,10,13-14,19H,5,8-9,11-12,15H2,1-4H3;5-9,12,15,18H,4,10-11,13-14,16H2,1-3H3
InChIKeyFPKPFKNBMUVVBB-UHFFFAOYSA-N
XLogP22.13
TPSA275.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.45
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 158102377) is 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CC(C)(F)C3)nc(-c3cccc4cc(-c5ccn(C)n5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(-c5cn(C)nc5C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4cc(-c5cn(C)nc5C)ncc34)c2C1.CCC(=O)N1CCn2c(C3CCC(C)(F)CC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C)cc34)c2C1.
What is the InChIKey of 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The InChIKey is FPKPFKNBMUVVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H35FN6O.C28H30F2N6O.C27H29FN6O/c1-5-27(38)36-13-14-37-26(18-36)28(33-29(37)20-9-11-30(3,31)12-10-20)22-8-6-7-21-15-25(32-16-23(21)22)24-17-35(4)34-19(24)2;1-5-26(38)36-13-14-37-25(18-36)28(34-29(37)20-9-11-30(3,31)12-10-20)22-7-6-8-24-23(22)15-19(2)27(33-24)21-16-32-35(4)17-21;1-5-24(37)35-8-9-36-23(15-35)26(32-27(36)19-11-28(29,30)12-19)25-16(2)6-7-18-10-22(31-13-20(18)25)21-14-34(4)33-17(21)3;1-4-24(35)33-10-11-34-23(16-33)25(30-26(34)18-13-27(2,28)14-18)19-7-5-6-17-12-22(29-15-20(17)19)21-8-9-32(3)31-21/h2*6-8,15-17,20H,5,9-14,18H2,1-4H3;6-7,10,13-14,19H,5,8-9,11-12,15H2,1-4H3;5-9,12,15,18H,4,10-11,13-14,16H2,1-3H3.
What are the key properties of 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 2006.45 g/mol, XLogP of 22.13, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 158102377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).