N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C22H23F3N4O2 — CID 155752149

IUPACN-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H23F3N4O2/c1-2-31-19-12-17-14(13-29(28-17)15-7-4-3-5-8-15)11-18(19)27-21(30)16-9-6-10-20(26-16)22(23,24)25/h6,9-13,15H,2-5,7-8H2,1H3,(H,27,30)
InChIKeyYMMUJVZGYZFOCE-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.61
Rot. Bonds5

About N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155752149) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155752149
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC NameN-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H23F3N4O2/c1-2-31-19-12-17-14(13-29(28-17)15-7-4-3-5-8-15)11-18(19)27-21(30)16-9-6-10-20(26-16)22(23,24)25/h6,9-13,15H,2-5,7-8H2,1H3,(H,27,30)
InChIKeyYMMUJVZGYZFOCE-UHFFFAOYSA-N
XLogP5.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155752149) is N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc2nn(C3CCCCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YMMUJVZGYZFOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-2-31-19-12-17-14(13-29(28-17)15-7-4-3-5-8-15)11-18(19)27-21(30)16-9-6-10-20(26-16)22(23,24)25/h6,9-13,15H,2-5,7-8H2,1H3,(H,27,30).
What are the key properties of N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155752149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).