N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide

C24H28N4O4 — CID 155437843

IUPACN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cc3cn(C4CCC(C=O)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C24H28N4O4/c1-24(2,31)18-12-20-16(13-28(27-20)17-9-7-15(14-29)8-10-17)11-21(18)26-23(30)19-5-4-6-22(25-19)32-3/h4-6,11-15,17,31H,7-10H2,1-3H3,(H,26,30)
InChIKeyUXWVMFPQSUFUAL-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide

N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide (PubChem CID 155437843) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
PubChem CID155437843
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
SMILESCOc1cccc(C(=O)Nc2cc3cn(C4CCC(C=O)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C24H28N4O4/c1-24(2,31)18-12-20-16(13-28(27-20)17-9-7-15(14-29)8-10-17)11-21(18)26-23(30)19-5-4-6-22(25-19)32-3/h4-6,11-15,17,31H,7-10H2,1-3H3,(H,26,30)
InChIKeyUXWVMFPQSUFUAL-UHFFFAOYSA-N
XLogP3.85
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240012
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 168854236
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167156198
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
CID 155448898
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
N-[6-(dimethylamino)-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567015
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide?
The IUPAC name of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide (CID 155437843) is N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide is COc1cccc(C(=O)Nc2cc3cn(C4CCC(C=O)CC4)nc3cc2C(C)(C)O)n1.
What is the InChIKey of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide?
The InChIKey is UXWVMFPQSUFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2,31)18-12-20-16(13-28(27-20)17-9-7-15(14-29)8-10-17)11-21(18)26-23(30)19-5-4-6-22(25-19)32-3/h4-6,11-15,17,31H,7-10H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide?
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 155437843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).