N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide

C148H168F4N26O25 — CID 167614474

About N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide

N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide (PubChem CID 167614474) has the molecular formula C148H168F4N26O25 and a molecular weight of 2787.12 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide
• PubChem CID: 167614474
• Molecular Formula: C148H168F4N26O25
• Molecular Weight: 2787.12 g/mol
• Exact Mass: 2785.26
• IUPAC Name: N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1ccc2ccccc2[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(C(C)(F)F)[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)F)[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(N(C)C)[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(OC)[n+]1[O-].[H]/N=c1\cccc(C(=O)Nc2cc3cn(C4CCC(O)(C5CC5)CC4)nc3cc2OC)n1O
• InChI: InChI=1S/C27H28N4O4.C25H28F2N4O4.C25H31N5O4.C24H26F2N4O4.C24H28N4O5.C23H27N5O4/c1-35-25-15-21-18(16-30(29-21)20-10-12-27(33,13-11-20)19-7-8-19)14-22(25)28-26(32)24-9-6-17-4-2-3-5-23(17)31(24)34;1-24(26,27)22-5-3-4-20(31(22)34)23(32)28-19-12-15-14-30(29-18(15)13-21(19)35-2)17-8-10-25(33,11-9-17)16-6-7-16;1-28(2)23-6-4-5-21(30(23)33)24(31)26-20-13-16-15-29(27-19(16)14-22(20)34-3)18-9-11-25(32,12-10-18)17-7-8-17;1-34-21-12-17-14(13-29(28-17)16-7-9-24(32,10-8-16)15-5-6-15)11-18(21)27-23(31)20-4-2-3-19(22(25)26)30(20)33;1-32-21-13-18-15(12-19(21)25-23(29)20-4-3-5-22(33-2)28(20)31)14-27(26-18)17-8-10-24(30,11-9-17)16-6-7-16;1-32-20-12-17-14(11-18(20)25-22(29)19-3-2-4-21(24)28(19)31)13-27(26-17)16-7-9-23(30,10-8-16)15-5-6-15/h2-6,9,14-16,19-20,33H,7-8,10-13H2,1H3,(H,28,32);3-5,12-14,16-17,33H,6-11H2,1-2H3,(H,28,32);4-6,13-15,17-18,32H,7-12H2,1-3H3,(H,26,31);2-4,11-13,15-16,22,32H,5-10H2,1H3,(H,27,31);3-5,12-14,16-17,30H,6-11H2,1-2H3,(H,25,29);2-4,11-13,15-16,24,30-31H,5-10H2,1H3,(H,25,29)/b;;;;;24-21+
• InChIKey: BXDKDLFKBCRQGP-FVFQLOAXSA-N
• XLogP: 22.28
• TPSA: 654.46 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2787.12
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide?

The IUPAC name of N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide (CID 167614474) is N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide.

What is the SMILES notation for N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide?

The canonical SMILES for N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide is COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1ccc2ccccc2[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(C(C)(F)F)[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)F)[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(N(C)C)[n+]1[O-].COc1cc2nn(C3CCC(O)(C4CC4)CC3)cc2cc1NC(=O)c1cccc(OC)[n+]1[O-].[H]/N=c1\cccc(C(=O)Nc2cc3cn(C4CCC(O)(C5CC5)CC4)nc3cc2OC)n1O.

What is the InChIKey of N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide?

The InChIKey is BXDKDLFKBCRQGP-FVFQLOAXSA-N. The full InChI is InChI=1S/C27H28N4O4.C25H28F2N4O4.C25H31N5O4.C24H26F2N4O4.C24H28N4O5.C23H27N5O4/c1-35-25-15-21-18(16-30(29-21)20-10-12-27(33,13-11-20)19-7-8-19)14-22(25)28-26(32)24-9-6-17-4-2-3-5-23(17)31(24)34;1-24(26,27)22-5-3-4-20(31(22)34)23(32)28-19-12-15-14-30(29-18(15)13-21(19)35-2)17-8-10-25(33,11-9-17)16-6-7-16;1-28(2)23-6-4-5-21(30(23)33)24(31)26-20-13-16-15-29(27-19(16)14-22(20)34-3)18-9-11-25(32,12-10-18)17-7-8-17;1-34-21-12-17-14(13-29(28-17)16-7-9-24(32,10-8-16)15-5-6-15)11-18(21)27-23(31)20-4-2-3-19(22(25)26)30(20)33;1-32-21-13-18-15(12-19(21)25-23(29)20-4-3-5-22(33-2)28(20)31)14-27(26-18)17-8-10-24(30,11-9-17)16-6-7-16;1-32-20-12-17-14(11-18(20)25-22(29)19-3-2-4-21(24)28(19)31)13-27(26-17)16-7-9-23(30,10-8-16)15-5-6-15/h2-6,9,14-16,19-20,33H,7-8,10-13H2,1H3,(H,28,32);3-5,12-14,16-17,33H,6-11H2,1-2H3,(H,28,32);4-6,13-15,17-18,32H,7-12H2,1-3H3,(H,26,31);2-4,11-13,15-16,22,32H,5-10H2,1H3,(H,27,31);3-5,12-14,16-17,30H,6-11H2,1-2H3,(H,25,29);2-4,11-13,15-16,24,30-31H,5-10H2,1H3,(H,25,29)/b;;;;;24-21+.

What are the key properties of N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide?

N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide has a molecular weight of 2787.12 g/mol, XLogP of 22.28, 34 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(1,1-difluoroethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(difluoromethyl)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-(dimethylamino)-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-hydroxy-6-iminopyridine-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-6-methoxy-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-cyclopropyl-4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide is sourced from PubChem (CID 167614474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).