N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C24H26F3N5O — CID 167156302

IUPACN-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCCCC3)nc2cc1N1CCCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H26F3N5O/c25-24(26,27)22-10-6-9-18(28-22)23(33)29-20-13-16-15-32(17-7-2-1-3-8-17)30-19(16)14-21(20)31-11-4-5-12-31/h6,9-10,13-15,17H,1-5,7-8,11-12H2,(H,29,33)
InChIKeyFXBVUKLKUNESIB-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.81
Rot. Bonds4

About N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167156302) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167156302
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC NameN-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCCCC3)nc2cc1N1CCCC1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H26F3N5O/c25-24(26,27)22-10-6-9-18(28-22)23(33)29-20-13-16-15-32(17-7-2-1-3-8-17)30-19(16)14-21(20)31-11-4-5-12-31/h6,9-10,13-15,17H,1-5,7-8,11-12H2,(H,29,33)
InChIKeyFXBVUKLKUNESIB-UHFFFAOYSA-N
XLogP5.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyclohexyl-6-(4-hydroxypiperidin-1-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448667
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757
N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163400019
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(2-cyclohexyl-7-fluoro-6-methoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448915
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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167156302) is N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(C3CCCCC3)nc2cc1N1CCCC1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FXBVUKLKUNESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c25-24(26,27)22-10-6-9-18(28-22)23(33)29-20-13-16-15-32(17-7-2-1-3-8-17)30-19(16)14-21(20)31-11-4-5-12-31/h6,9-10,13-15,17H,1-5,7-8,11-12H2,(H,29,33).
What are the key properties of N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167156302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).