N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C19H18F3N5O — CID 163400019

IUPACN-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCCCC3)nc2cn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)16-8-4-7-14(24-16)18(28)25-17-9-12-11-27(26-15(12)10-23-17)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,25,28)
InChIKeyYJSXPQOWVKUPQH-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.60
Rot. Bonds3

About N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 163400019) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID163400019
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCCCC3)nc2cn1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)16-8-4-7-14(24-16)18(28)25-17-9-12-11-27(26-15(12)10-23-17)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,25,28)
InChIKeyYJSXPQOWVKUPQH-UHFFFAOYSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 163400019) is N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(C3CCCCC3)nc2cn1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YJSXPQOWVKUPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)16-8-4-7-14(24-16)18(28)25-17-9-12-11-27(26-15(12)10-23-17)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,25,28).
What are the key properties of N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazolo[3,4-c]pyridin-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 163400019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).