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

C23H23F3N4O2 — CID 155448588

IUPACN-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCCCC3)nc2cc1OC1CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H23F3N4O2/c24-23(25,26)21-8-4-7-17(27-21)22(31)28-19-11-14-13-30(15-5-2-1-3-6-15)29-18(14)12-20(19)32-16-9-10-16/h4,7-8,11-13,15-16H,1-3,5-6,9-10H2,(H,28,31)
InChIKeyJRQVBRGDOKZXSL-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.75
Rot. Bonds5

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

N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155448588) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155448588
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCCCC3)nc2cc1OC1CC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H23F3N4O2/c24-23(25,26)21-8-4-7-17(27-21)22(31)28-19-11-14-13-30(15-5-2-1-3-6-15)29-18(14)12-20(19)32-16-9-10-16/h4,7-8,11-13,15-16H,1-3,5-6,9-10H2,(H,28,31)
InChIKeyJRQVBRGDOKZXSL-UHFFFAOYSA-N
XLogP5.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.75
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-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155448588) is N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(C3CCCCC3)nc2cc1OC1CC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JRQVBRGDOKZXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c24-23(25,26)21-8-4-7-17(27-21)22(31)28-19-11-14-13-30(15-5-2-1-3-6-15)29-18(14)12-20(19)32-16-9-10-16/h4,7-8,11-13,15-16H,1-3,5-6,9-10H2,(H,28,31).
What are the key properties of N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 5.75, 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-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155448588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).