3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane

C103H115F2N27O5 — CID 158894626

IUPAC3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane
SMILESC.C.CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2C(C)C1.CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2CC1C
InChIInChI=1S/C27H28F2N6O2.2C25H27N7O.C24H25N7O.2CH4/c1-16(36)34-8-9-35-23(15-34)25(32-27(35)17-6-10-37-11-7-17)19-4-3-5-22-20(19)12-21(26(28)29)24(31-22)18-13-30-33(2)14-18;1-15-12-32-22(14-31(15)25(33)26-2)23(29-24(32)16-7-8-16)19-6-4-5-17-9-21(27-11-20(17)19)18-10-28-30(3)13-18;1-15-12-31(25(33)26-2)14-22-23(29-24(32(15)22)16-7-8-16)19-6-4-5-17-9-21(27-11-20(17)19)18-10-28-30(3)13-18;1-25-24(32)30-8-9-31-21(14-30)22(28-23(31)15-6-7-15)18-5-3-4-16-10-20(26-12-19(16)18)17-11-27-29(2)13-17;;/h3-5,12-14,17,26H,6-11,15H2,1-2H3;2*4-6,9-11,13,15-16H,7-8,12,14H2,1-3H3,(H,26,33);3-5,10-13,15H,6-9,14H2,1-2H3,(H,25,32);2*1H4
InChIKeyJERHPKJOZBLCQN-UHFFFAOYSA-N
MW1849.23 g/mol
LogP17.51
Rot. Bonds13

About 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane

3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane (PubChem CID 158894626) has the molecular formula C103H115F2N27O5 and a molecular weight of 1849.23 g/mol. Its IUPAC name is 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane.

Molecular Properties

Compound Name3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane
PubChem CID158894626
Molecular FormulaC103H115F2N27O5
Molecular Weight1849.23 g/mol
Exact Mass1847.95
IUPAC Name3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane
SMILESC.C.CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2C(C)C1.CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2CC1C
InChIInChI=1S/C27H28F2N6O2.2C25H27N7O.C24H25N7O.2CH4/c1-16(36)34-8-9-35-23(15-34)25(32-27(35)17-6-10-37-11-7-17)19-4-3-5-22-20(19)12-21(26(28)29)24(31-22)18-13-30-33(2)14-18;1-15-12-32-22(14-31(15)25(33)26-2)23(29-24(32)16-7-8-16)19-6-4-5-17-9-21(27-11-20(17)19)18-10-28-30(3)13-18;1-15-12-31(25(33)26-2)14-22-23(29-24(32(15)22)16-7-8-16)19-6-4-5-17-9-21(27-11-20(17)19)18-10-28-30(3)13-18;1-25-24(32)30-8-9-31-21(14-30)22(28-23(31)15-6-7-15)18-5-3-4-16-10-20(26-12-19(16)18)17-11-27-29(2)13-17;;/h3-5,12-14,17,26H,6-11,15H2,1-2H3;2*4-6,9-11,13,15-16H,7-8,12,14H2,1-3H3,(H,26,33);3-5,10-13,15H,6-9,14H2,1-2H3,(H,25,32);2*1H4
InChIKeyJERHPKJOZBLCQN-UHFFFAOYSA-N
XLogP17.51
TPSA320.68 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.23
LogP ≤ 517.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane with MolForge

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Related Compounds

US10899769, Example 89a
CID 139558251
US11058688, Example 65
CID 139530472
US11058688, Example 123
CID 139543520
US10899769, Example 79
CID 139558291
US10899769, Example 27
CID 139558303
US10899769, Example 64a
CID 139558309
US10899769, Example 95
CID 139558315
US10899769, Example 89b
CID 139558396
US10899769, Example 93
CID 139570784
US10899769, Example 26a
CID 139570987
US10899769, Example 26b
CID 139570996
US10899769, Example 36a
CID 139571042

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
The IUPAC name of 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane (CID 158894626) is 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane.
What is the SMILES notation for 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
The canonical SMILES for 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane is C.C.CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2C(C)C1.CNC(=O)N1Cc2c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nc(C3CC3)n2CC1C.
What is the InChIKey of 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
The InChIKey is JERHPKJOZBLCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2.2C25H27N7O.C24H25N7O.2CH4/c1-16(36)34-8-9-35-23(15-34)25(32-27(35)17-6-10-37-11-7-17)19-4-3-5-22-20(19)12-21(26(28)29)24(31-22)18-13-30-33(2)14-18;1-15-12-32-22(14-31(15)25(33)26-2)23(29-24(32)16-7-8-16)19-6-4-5-17-9-21(27-11-20(17)19)18-10-28-30(3)13-18;1-15-12-31(25(33)26-2)14-22-23(29-24(32(15)22)16-7-8-16)19-6-4-5-17-9-21(27-11-20(17)19)18-10-28-30(3)13-18;1-25-24(32)30-8-9-31-21(14-30)22(28-23(31)15-6-7-15)18-5-3-4-16-10-20(26-12-19(16)18)17-11-27-29(2)13-17;;/h3-5,12-14,17,26H,6-11,15H2,1-2H3;2*4-6,9-11,13,15-16H,7-8,12,14H2,1-3H3,(H,26,33);3-5,10-13,15H,6-9,14H2,1-2H3,(H,25,32);2*1H4.
What are the key properties of 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane?
3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane has a molecular weight of 1849.23 g/mol, XLogP of 17.51, 13 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,5-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N,6-dimethyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methane is sourced from PubChem (CID 158894626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).