N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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

C94H111N19O14 — CID 167541334

IUPACN-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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
SMILESCOc1cc2nn(C3CCC(C)(C#N)CC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1ccc/c(=N\C2CC2)n1O.Cc1cccc(C(=O)Nc2cc3cn(C4CCC(C)(O)CC4)nc3cc2N(C)C)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2OCC2CC2)[n+]1[O-]
InChIInChI=1S/C24H29N5O4.C24H28N4O4.C23H29N5O3.C23H25N5O3/c1-24(31)10-8-17(9-11-24)28-14-15-12-19(21(33-2)13-18(15)27-28)26-23(30)20-4-3-5-22(29(20)32)25-16-6-7-16;1-15-3-2-4-22(28(15)31)24(30)25-21-11-17-13-27(18-7-9-19(29)10-8-18)26-20(17)12-23(21)32-14-16-5-6-16;1-15-6-5-7-20(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;1-15-5-4-6-20(28(15)30)22(29)25-19-11-16-13-27(26-18(16)12-21(19)31-3)17-7-9-23(2,14-24)10-8-17/h3-5,12-14,16-17,31-32H,6-11H2,1-2H3,(H,26,30);2-4,11-13,16,18-19,29H,5-10,14H2,1H3,(H,25,30);5-7,12-14,17,30H,8-11H2,1-4H3,(H,24,29);4-6,11-13,17H,7-10H2,1-3H3,(H,25,29)/b25-22+;;;
InChIKeyZYXYMRDRXYCMIO-ICVVXADVSA-N
MW1731.04 g/mol
LogP13.81
Rot. Bonds19

About N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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

N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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 (PubChem CID 167541334) has the molecular formula C94H111N19O14 and a molecular weight of 1731.04 g/mol. Its IUPAC name is N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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.

Molecular Properties

Compound NameN-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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
PubChem CID167541334
Molecular FormulaC94H111N19O14
Molecular Weight1731.04 g/mol
Exact Mass1729.86
IUPAC NameN-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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
SMILESCOc1cc2nn(C3CCC(C)(C#N)CC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1ccc/c(=N\C2CC2)n1O.Cc1cccc(C(=O)Nc2cc3cn(C4CCC(C)(O)CC4)nc3cc2N(C)C)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2OCC2CC2)[n+]1[O-]
InChIInChI=1S/C24H29N5O4.C24H28N4O4.C23H29N5O3.C23H25N5O3/c1-24(31)10-8-17(9-11-24)28-14-15-12-19(21(33-2)13-18(15)27-28)26-23(30)20-4-3-5-22(29(20)32)25-16-6-7-16;1-15-3-2-4-22(28(15)31)24(30)25-21-11-17-13-27(18-7-9-19(29)10-8-18)26-20(17)12-23(21)32-14-16-5-6-16;1-15-6-5-7-20(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;1-15-5-4-6-20(28(15)30)22(29)25-19-11-16-13-27(26-18(16)12-21(19)31-3)17-7-9-23(2,14-24)10-8-17/h3-5,12-14,16-17,31-32H,6-11H2,1-2H3,(H,26,30);2-4,11-13,16,18-19,29H,5-10,14H2,1H3,(H,25,30);5-7,12-14,17,30H,8-11H2,1-4H3,(H,24,29);4-6,11-13,17H,7-10H2,1-3H3,(H,25,29)/b25-22+;;;
InChIKeyZYXYMRDRXYCMIO-ICVVXADVSA-N
XLogP13.81
TPSA421.43 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001731.04
LogP ≤ 513.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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?
The IUPAC name of N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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 (CID 167541334) is N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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.
What is the SMILES notation for N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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?
The canonical SMILES for N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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 is COc1cc2nn(C3CCC(C)(C#N)CC3)cc2cc1NC(=O)c1cccc(C)[n+]1[O-].COc1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1ccc/c(=N\C2CC2)n1O.Cc1cccc(C(=O)Nc2cc3cn(C4CCC(C)(O)CC4)nc3cc2N(C)C)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2OCC2CC2)[n+]1[O-].
What is the InChIKey of N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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?
The InChIKey is ZYXYMRDRXYCMIO-ICVVXADVSA-N. The full InChI is InChI=1S/C24H29N5O4.C24H28N4O4.C23H29N5O3.C23H25N5O3/c1-24(31)10-8-17(9-11-24)28-14-15-12-19(21(33-2)13-18(15)27-28)26-23(30)20-4-3-5-22(29(20)32)25-16-6-7-16;1-15-3-2-4-22(28(15)31)24(30)25-21-11-17-13-27(18-7-9-19(29)10-8-18)26-20(17)12-23(21)32-14-16-5-6-16;1-15-6-5-7-20(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;1-15-5-4-6-20(28(15)30)22(29)25-19-11-16-13-27(26-18(16)12-21(19)31-3)17-7-9-23(2,14-24)10-8-17/h3-5,12-14,16-17,31-32H,6-11H2,1-2H3,(H,26,30);2-4,11-13,16,18-19,29H,5-10,14H2,1H3,(H,25,30);5-7,12-14,17,30H,8-11H2,1-4H3,(H,24,29);4-6,11-13,17H,7-10H2,1-3H3,(H,25,29)/b25-22+;;;.
What are the key properties of N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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?
N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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 has a molecular weight of 1731.04 g/mol, XLogP of 13.81, 19 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;6-cyclopropylimino-1-hydroxy-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide;N-[6-(cyclopropylmethoxy)-2-(4-hydroxycyclohexyl)indazol-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 is sourced from PubChem (CID 167541334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).