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

C24H28N4O3 — CID 155437780

IUPACN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3cn(C4CCC(C=O)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C24H28N4O3/c1-15-5-4-6-20(25-15)23(30)26-22-11-17-13-28(18-9-7-16(14-29)8-10-18)27-21(17)12-19(22)24(2,3)31/h4-6,11-14,16,18,31H,7-10H2,1-3H3,(H,26,30)
InChIKeyUCNLUQZNYKSKJT-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.15
Rot. Bonds5

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

N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 155437780) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID155437780
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc3cn(C4CCC(C=O)CC4)nc3cc2C(C)(C)O)n1
InChIInChI=1S/C24H28N4O3/c1-15-5-4-6-20(25-15)23(30)26-22-11-17-13-28(18-9-7-16(14-29)8-10-18)27-21(17)12-19(22)24(2,3)31/h4-6,11-14,16,18,31H,7-10H2,1-3H3,(H,26,30)
InChIKeyUCNLUQZNYKSKJT-UHFFFAOYSA-N
XLogP4.15
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxypyridine-2-carboxamide
CID 155437843
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
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-[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-(dimethylamino)-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567015
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 164567526
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 155437780) is N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(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-methylpyridine-2-carboxamide?
The InChIKey is UCNLUQZNYKSKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-5-4-6-20(25-15)23(30)26-22-11-17-13-28(18-9-7-16(14-29)8-10-18)27-21(17)12-19(22)24(2,3)31/h4-6,11-14,16,18,31H,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-methylpyridine-2-carboxamide?
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylpyridine-2-carboxamide is sourced from PubChem (CID 155437780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).