5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C22H27F3N4O2 — CID 71294454

IUPAC5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccn(CC2CC2)n1)c1cnc(OCC(F)(F)F)c(C2CCCCC2)c1
InChIInChI=1S/C22H27F3N4O2/c23-22(24,25)14-31-21-19(16-4-2-1-3-5-16)10-17(11-27-21)20(30)26-12-18-8-9-29(28-18)13-15-6-7-15/h8-11,15-16H,1-7,12-14H2,(H,26,30)
InChIKeyGXRBKTVZNHDOCO-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.61
Rot. Bonds8

About 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 71294454) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID71294454
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccn(CC2CC2)n1)c1cnc(OCC(F)(F)F)c(C2CCCCC2)c1
InChIInChI=1S/C22H27F3N4O2/c23-22(24,25)14-31-21-19(16-4-2-1-3-5-16)10-17(11-27-21)20(30)26-12-18-8-9-29(28-18)13-15-6-7-15/h8-11,15-16H,1-7,12-14H2,(H,26,30)
InChIKeyGXRBKTVZNHDOCO-UHFFFAOYSA-N
XLogP4.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 71294454) is 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccn(CC2CC2)n1)c1cnc(OCC(F)(F)F)c(C2CCCCC2)c1.
What is the InChIKey of 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is GXRBKTVZNHDOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c23-22(24,25)14-31-21-19(16-4-2-1-3-5-16)10-17(11-27-21)20(30)26-12-18-8-9-29(28-18)13-15-6-7-15/h8-11,15-16H,1-7,12-14H2,(H,26,30).
What are the key properties of 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71294454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).