3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane

C81H87F4N20O3S2+ — CID 160769954

About 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane

3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane (PubChem CID 160769954) has the molecular formula C81H87F4N20O3S2+ and a molecular weight of 1528.85 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane
• PubChem CID: 160769954
• Molecular Formula: C81H87F4N20O3S2+
• Molecular Weight: 1528.85 g/mol
• Exact Mass: 1527.66
• IUPAC Name: 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane
• SMILES: C.CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.[C-]#[N+]c1cc2c(-c3nc(C4CC4)n4c3CN(C(=O)NC)CC4)cccc2nc1C1=C(C)N=[N+](C)C1
• InChI: InChI=1S/C28H30F2N6OS.C26H26F2N6OS.C26H26N8O.CH4/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;1-14-4-5-16-8-19(21-12-30-15(2)36-21)31-11-18(16)22(14)23-20-13-33(25(35)29-3)6-7-34(20)24(32-23)17-9-26(27,28)10-17;1-15-19(13-32(4)31-15)23-21(27-2)12-18-17(6-5-7-20(18)29-23)24-22-14-33(26(35)28-3)10-11-34(22)25(30-24)16-8-9-16;/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,31,37);4-5,8,11-12,17H,6-7,9-10,13H2,1-3H3,(H,29,35);5-7,12,16H,8-11,13-14H2,1,3-4H3;1H4/p+1
• InChIKey: WZWBWWOXMFQILM-UHFFFAOYSA-O
• XLogP: 16.95
• TPSA: 234.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1528.85
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane?

The IUPAC name of 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane (CID 160769954) is 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane.

What is the SMILES notation for 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane?

The canonical SMILES for 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane is C.CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.[C-]#[N+]c1cc2c(-c3nc(C4CC4)n4c3CN(C(=O)NC)CC4)cccc2nc1C1=C(C)N=[N+](C)C1.

What is the InChIKey of 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane?

The InChIKey is WZWBWWOXMFQILM-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H30F2N6OS.C26H26F2N6OS.C26H26N8O.CH4/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;1-14-4-5-16-8-19(21-12-30-15(2)36-21)31-11-18(16)22(14)23-20-13-33(25(35)29-3)6-7-34(20)24(32-23)17-9-26(27,28)10-17;1-15-19(13-32(4)31-15)23-21(27-2)12-18-17(6-5-7-20(18)29-23)24-22-14-33(26(35)28-3)10-11-34(22)25(30-24)16-8-9-16;/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,31,37);4-5,8,11-12,17H,6-7,9-10,13H2,1-3H3,(H,29,35);5-7,12,16H,8-11,13-14H2,1,3-4H3;1H4/p+1.

What are the key properties of 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane?

3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane has a molecular weight of 1528.85 g/mol, XLogP of 16.95, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-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;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;methane is sourced from PubChem (CID 160769954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).