5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide

C18H20ClF3N4O2 — CID 138995939

IUPAC5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnn(CC(F)(F)F)c1)c1cnc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H20ClF3N4O2/c19-15-6-13(9-24-17(15)28-14-4-2-1-3-5-14)16(27)23-7-12-8-25-26(10-12)11-18(20,21)22/h6,8-10,14H,1-5,7,11H2,(H,23,27)
InChIKeyJJAQZUHPLYKGAV-UHFFFAOYSA-N
MW416.83 g/mol
LogP4.14
Rot. Bonds6

About 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide

5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 138995939) has the molecular formula C18H20ClF3N4O2 and a molecular weight of 416.83 g/mol. Its IUPAC name is 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID138995939
Molecular FormulaC18H20ClF3N4O2
Molecular Weight416.83 g/mol
Exact Mass416.12
IUPAC Name5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnn(CC(F)(F)F)c1)c1cnc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H20ClF3N4O2/c19-15-6-13(9-24-17(15)28-14-4-2-1-3-5-14)16(27)23-7-12-8-25-26(10-12)11-18(20,21)22/h6,8-10,14H,1-5,7,11H2,(H,23,27)
InChIKeyJJAQZUHPLYKGAV-UHFFFAOYSA-N
XLogP4.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide (CID 138995939) is 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide is O=C(NCc1cnn(CC(F)(F)F)c1)c1cnc(OC2CCCCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is JJAQZUHPLYKGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O2/c19-15-6-13(9-24-17(15)28-14-4-2-1-3-5-14)16(27)23-7-12-8-25-26(10-12)11-18(20,21)22/h6,8-10,14H,1-5,7,11H2,(H,23,27).
What are the key properties of 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide?
5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 416.83 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclohexyloxy-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 138995939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).