N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)

C131H153F2N25O20 — CID 167643615

About N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide) (PubChem CID 167643615) has the molecular formula C131H153F2N25O20 and a molecular weight of 2435.82 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide).

Molecular Properties

• Compound Name: N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)
• PubChem CID: 167643615
• Molecular Formula: C131H153F2N25O20
• Molecular Weight: 2435.82 g/mol
• Exact Mass: 2434.17
• IUPAC Name: N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)
• SMILES: COc1cc2nn(C3CCC(F)(F)CC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].COc1cc2nn(C3CCC(O)CC3)cc2cc1NC(=O)c1cccc(C(C)C)[n+]1[O-].COc1cc2nn(C3CCC(O)CC3)cc2cc1NC(=O)c1cccc(C(C)C)[n+]1[O-].COc1cc2nn(C3CCCC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(C)(O)CC4)nc3cc2N(C)C)[n+]1[O-]
• InChI: InChI=1S/C23H29N5O3.2C23H28N4O4.C21H22F2N4O3.C21H24N4O3.C20H22N4O3/c1-15-6-5-7-20(28(15)31)22(29)24-19-12-16-14-27(17-8-10-23(2,30)11-9-17)25-18(16)13-21(19)26(3)4;2*1-14(2)20-5-4-6-21(27(20)30)23(29)24-19-11-15-13-26(16-7-9-17(28)10-8-16)25-18(15)12-22(19)31-3;1-13-4-3-5-18(27(13)29)20(28)24-17-10-14-12-26(25-16(14)11-19(17)30-2)15-6-8-21(22,23)9-7-15;1-14-7-6-10-19(25(14)27)21(26)22-18-11-15-13-24(16-8-4-3-5-9-16)23-17(15)12-20(18)28-2;1-13-6-5-9-18(24(13)26)20(25)21-17-10-14-12-23(15-7-3-4-8-15)22-16(14)11-19(17)27-2/h5-7,12-14,17,30H,8-11H2,1-4H3,(H,24,29);2*4-6,11-14,16-17,28H,7-10H2,1-3H3,(H,24,29);3-5,10-12,15H,6-9H2,1-2H3,(H,24,28);6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,22,26);5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,25)
• InChIKey: PNFVRYPUOQJZTM-UHFFFAOYSA-N
• XLogP: 21.31
• TPSA: 553.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2435.82
LogP ≤ 5	21.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)?

The IUPAC name of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide) (CID 167643615) is N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide).

What is the SMILES notation for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)?

The canonical SMILES for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide) is COc1cc2nn(C3CCC(F)(F)CC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].COc1cc2nn(C3CCC(O)CC3)cc2cc1NC(=O)c1cccc(C(C)C)[n+]1[O-].COc1cc2nn(C3CCC(O)CC3)cc2cc1NC(=O)c1cccc(C(C)C)[n+]1[O-].COc1cc2nn(C3CCCC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].COc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(C)(O)CC4)nc3cc2N(C)C)[n+]1[O-].

What is the InChIKey of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)?

The InChIKey is PNFVRYPUOQJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3.2C23H28N4O4.C21H22F2N4O3.C21H24N4O3.C20H22N4O3/c1-15-6-5-7-20(28(15)31)22(29)24-19-12-16-14-27(17-8-10-23(2,30)11-9-17)25-18(16)13-21(19)26(3)4;2*1-14(2)20-5-4-6-21(27(20)30)23(29)24-19-11-15-13-26(16-7-9-17(28)10-8-16)25-18(15)12-22(19)31-3;1-13-4-3-5-18(27(13)29)20(28)24-17-10-14-12-26(25-16(14)11-19(17)30-2)15-6-8-21(22,23)9-7-15;1-14-7-6-10-19(25(14)27)21(26)22-18-11-15-13-24(16-8-4-3-5-9-16)23-17(15)12-20(18)28-2;1-13-6-5-9-18(24(13)26)20(25)21-17-10-14-12-23(15-7-3-4-8-15)22-16(14)11-19(17)27-2/h5-7,12-14,17,30H,8-11H2,1-4H3,(H,24,29);2*4-6,11-14,16-17,28H,7-10H2,1-3H3,(H,24,29);3-5,10-12,15H,6-9H2,1-2H3,(H,24,28);6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,22,26);5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,25).

What are the key properties of N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide)?

N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide) has a molecular weight of 2435.82 g/mol, XLogP of 21.31, 26 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-(2-cyclopentyl-6-methoxyindazol-5-yl)-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4,4-difluorocyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;bis(N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide) is sourced from PubChem (CID 167643615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).