N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C24H25F3N4O3 — CID 168854236

IUPACN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C24H25F3N4O3/c1-23(2,34)18-11-19-15(12-31(30-19)16-7-5-14(13-32)6-8-16)10-20(18)29-22(33)21-17(24(25,26)27)4-3-9-28-21/h3-4,9-14,16,34H,5-8H2,1-2H3,(H,29,33)
InChIKeyQHOUIJPOXMPTSE-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.86
Rot. Bonds5

About N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 168854236) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID168854236
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)c1ncccc1C(F)(F)F
InChIInChI=1S/C24H25F3N4O3/c1-23(2,34)18-11-19-15(12-31(30-19)16-7-5-14(13-32)6-8-16)10-20(18)29-22(33)21-17(24(25,26)27)4-3-9-28-21/h3-4,9-14,16,34H,5-8H2,1-2H3,(H,29,33)
InChIKeyQHOUIJPOXMPTSE-UHFFFAOYSA-N
XLogP4.86
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.86
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-methylpyridine-2-carboxamide
CID 155437780
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
CID 155437843
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167156198
N-[2-(4-ethylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
CID 155448898
N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155448913
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 155437655
N-[1-(4-formylphenyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 155751999
N-[6-(dimethylamino)-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164567015
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
4-[6-(2-hydroxypropan-2-yl)-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]indazol-2-yl]cyclohexane-1-carbaldehyde
CID 167156787

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 168854236) is N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QHOUIJPOXMPTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-23(2,34)18-11-19-15(12-31(30-19)16-7-5-14(13-32)6-8-16)10-20(18)29-22(33)21-17(24(25,26)27)4-3-9-28-21/h3-4,9-14,16,34H,5-8H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 4.86, 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]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 168854236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).