3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C82H92F2N19O5S2+ — CID 157073482

About 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 157073482) has the molecular formula C82H92F2N19O5S2+ and a molecular weight of 1525.90 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• PubChem CID: 157073482
• Molecular Formula: C82H92F2N19O5S2+
• Molecular Weight: 1525.90 g/mol
• Exact Mass: 1524.69
• IUPAC Name: 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
• SMILES: CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cc[n+](C)[nH]5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
• InChI: InChI=1S/C28H30F2N6OS.C27H31N7O2.C27H30N6O2S/c1-16-4-5-19-12-21(23-14-32-17(2)38-23)33-13-20(19)24(16)25-22-15-35(27(37)31-3)10-11-36(22)26(34-25)18-6-8-28(29,30)9-7-18;1-17-4-5-19-14-22(21-6-9-32(3)31-21)29-15-20(19)24(17)25-23-16-33(27(35)28-2)10-11-34(23)26(30-25)18-7-12-36-13-8-18;1-16-4-5-19-12-21(23-14-29-17(2)36-23)30-13-20(19)24(16)25-22-15-32(27(34)28-3)8-9-33(22)26(31-25)18-6-10-35-11-7-18/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,31,37);4-6,9,14-15,18H,7-8,10-13,16H2,1-3H3,(H,28,35);4-5,12-14,18H,6-11,15H2,1-3H3,(H,28,34)/p+1
• InChIKey: ICCSSCCFQXLJOV-UHFFFAOYSA-O
• XLogP: 14.45
• TPSA: 253.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1525.90
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 157073482) is 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The canonical SMILES for 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cc[n+](C)[nH]5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.

What is the InChIKey of 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

The InChIKey is ICCSSCCFQXLJOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H30F2N6OS.C27H31N7O2.C27H30N6O2S/c1-16-4-5-19-12-21(23-14-32-17(2)38-23)33-13-20(19)24(16)25-22-15-35(27(37)31-3)10-11-36(22)26(34-25)18-6-8-28(29,30)9-7-18;1-17-4-5-19-14-22(21-6-9-32(3)31-21)29-15-20(19)24(17)25-23-16-33(27(35)28-2)10-11-34(23)26(30-25)18-7-12-36-13-8-18;1-16-4-5-19-12-21(23-14-29-17(2)36-23)30-13-20(19)24(16)25-22-15-32(27(34)28-3)8-9-33(22)26(31-25)18-6-10-35-11-7-18/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,31,37);4-6,9,14-15,18H,7-8,10-13,16H2,1-3H3,(H,28,35);4-5,12-14,18H,6-11,15H2,1-3H3,(H,28,34)/p+1.

What are the key properties of 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?

3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 1525.90 g/mol, XLogP of 14.45, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1H-pyrazol-2-ium-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 157073482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).