6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide

C73H78N18O9 — CID 167531992

IUPAC6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
SMILESCC(C)c1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2-n2cccn2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2-n2cccn2)[n+]1[O-].O=C(Nc1cc2cn(C3CCC(O)CC3)nc2cc1-n1cccn1)c1cccc(C2CC2)[n+]1[O-]
InChIInChI=1S/C25H26N6O3.C25H28N6O3.C23H24N6O3/c32-19-9-7-18(8-10-19)30-15-17-13-21(24(14-20(17)28-30)29-12-2-11-26-29)27-25(33)23-4-1-3-22(31(23)34)16-5-6-16;1-16(2)22-5-3-6-23(31(22)34)25(33)27-21-13-17-15-30(18-7-9-19(32)10-8-18)28-20(17)14-24(21)29-12-4-11-26-29;1-15-4-2-5-21(29(15)32)23(31)25-20-12-16-14-28(17-6-8-18(30)9-7-17)26-19(16)13-22(20)27-11-3-10-24-27/h1-4,11-16,18-19,32H,5-10H2,(H,27,33);3-6,11-16,18-19,32H,7-10H2,1-2H3,(H,27,33);2-5,10-14,17-18,30H,6-9H2,1H3,(H,25,31)
InChIKeyACCFVGDLBQWQAA-UHFFFAOYSA-N
MW1351.54 g/mol
LogP10.06
Rot. Bonds14

About 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide

6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide (PubChem CID 167531992) has the molecular formula C73H78N18O9 and a molecular weight of 1351.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
PubChem CID167531992
Molecular FormulaC73H78N18O9
Molecular Weight1351.54 g/mol
Exact Mass1350.62
IUPAC Name6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
SMILESCC(C)c1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2-n2cccn2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2-n2cccn2)[n+]1[O-].O=C(Nc1cc2cn(C3CCC(O)CC3)nc2cc1-n1cccn1)c1cccc(C2CC2)[n+]1[O-]
InChIInChI=1S/C25H26N6O3.C25H28N6O3.C23H24N6O3/c32-19-9-7-18(8-10-19)30-15-17-13-21(24(14-20(17)28-30)29-12-2-11-26-29)27-25(33)23-4-1-3-22(31(23)34)16-5-6-16;1-16(2)22-5-3-6-23(31(22)34)25(33)27-21-13-17-15-30(18-7-9-19(32)10-8-18)28-20(17)14-24(21)29-12-4-11-26-29;1-15-4-2-5-21(29(15)32)23(31)25-20-12-16-14-28(17-6-8-18(30)9-7-17)26-19(16)13-22(20)27-11-3-10-24-27/h1-4,11-16,18-19,32H,5-10H2,(H,27,33);3-6,11-16,18-19,32H,7-10H2,1-2H3,(H,27,33);2-5,10-14,17-18,30H,6-9H2,1H3,(H,25,31)
InChIKeyACCFVGDLBQWQAA-UHFFFAOYSA-N
XLogP10.06
TPSA335.73 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001351.54
LogP ≤ 510.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide with MolForge

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Related Compounds

N-[2-(3-tert-butylcyclobutyl)-6-pyridin-2-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-(4-cyanopyrazol-1-yl)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4,4-dimethylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 165091489
6-(1,1-difluoroethyl)-N-[6-(dimethylamino)-2-(4-hydroxycyclohexyl)indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;6-(difluoromethyl)-N-[6-(dimethylamino)-2-(4-hydroxycyclohexyl)indazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[6-(dimethylamino)-2-(4-hydroxycyclohexyl)indazol-5-yl]-1-oxidoquinolin-1-ium-2-carboxamide
CID 167692960
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 118226444
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-2-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 118226447
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 118226577
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 118226578
N-(2-amino-4-methylphenyl)-2-(pyridin-3-ylmethyl)indazole-5-carboxamide;N-(2-aminophenyl)-2-benzylindazole-5-carboxamide;N-(2-aminophenyl)-2-(cyclopropylmethyl)indazole-5-carboxamide;N-(2-aminophenyl)-2-[(2,6-dimethyl-3-pyridinyl)methyl]indazole-5-carboxamide;N-(2-aminophenyl)-2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;N-(2-aminophenyl)-2-[(1-methylpyrazol-4-yl)methyl]indazole-5-carboxamide;N-(2-aminophenyl)-2-(pyridin-3-ylmethyl)indazole-5-carboxamide
CID 158807220
N-(2-amino-4-methylphenyl)-1-(cyclopropylmethyl)indazole-5-carboxamide;N-(2-aminophenyl)-2-benzylindazole-5-carboxamide;N-(2-aminophenyl)-2-(cyclopropylmethyl)indazole-5-carboxamide;N-(2-aminophenyl)-2-[(2,6-dimethyl-3-pyridinyl)methyl]indazole-5-carboxamide;N-(2-aminophenyl)-2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;N-(2-aminophenyl)-2-[(1-methylpyrazol-4-yl)methyl]indazole-5-carboxamide;N-(2-aminophenyl)-2-(pyridin-3-ylmethyl)indazole-5-carboxamide
CID 159586981
N-(2-amino-4-methylphenyl)-2-(cyclopropylmethyl)indazole-5-carboxamide;N-(2-amino-4-methylphenyl)-2-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide;N-(2-amino-4-methylphenyl)-2-[(2,6-dimethyl-3-pyridinyl)methyl]indazole-5-carboxamide;N-(2-amino-4-methylphenyl)-2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;N-(2-amino-4-methylphenyl)-2-(pyridin-3-ylmethyl)indazole-5-carboxamide;N-(2-aminophenyl)-2-[(3,4-difluorophenyl)methyl]indazole-5-carboxamide;methane
CID 159716101
6-cyclopropyl-N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrrolidin-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide
CID 165162110
N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
CID 165162114
N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide
CID 165162130

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide (CID 167531992) is 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide is CC(C)c1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2-n2cccn2)[n+]1[O-].Cc1cccc(C(=O)Nc2cc3cn(C4CCC(O)CC4)nc3cc2-n2cccn2)[n+]1[O-].O=C(Nc1cc2cn(C3CCC(O)CC3)nc2cc1-n1cccn1)c1cccc(C2CC2)[n+]1[O-].
What is the InChIKey of 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
The InChIKey is ACCFVGDLBQWQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C25H28N6O3.C23H24N6O3/c32-19-9-7-18(8-10-19)30-15-17-13-21(24(14-20(17)28-30)29-12-2-11-26-29)27-25(33)23-4-1-3-22(31(23)34)16-5-6-16;1-16(2)22-5-3-6-23(31(22)34)25(33)27-21-13-17-15-30(18-7-9-19(32)10-8-18)28-20(17)14-24(21)29-12-4-11-26-29;1-15-4-2-5-21(29(15)32)23(31)25-20-12-16-14-28(17-6-8-18(30)9-7-17)26-19(16)13-22(20)27-11-3-10-24-27/h1-4,11-16,18-19,32H,5-10H2,(H,27,33);3-6,11-16,18-19,32H,7-10H2,1-2H3,(H,27,33);2-5,10-14,17-18,30H,6-9H2,1H3,(H,25,31).
What are the key properties of 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide?
6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide has a molecular weight of 1351.54 g/mol, XLogP of 10.06, 14 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-methyl-1-oxidopyridin-1-ium-2-carboxamide;N-[2-(4-hydroxycyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-1-oxido-6-propan-2-ylpyridin-1-ium-2-carboxamide is sourced from PubChem (CID 167531992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).