6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C28H24F3N5O2 — CID 89463802

IUPAC6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)22-8-12-26(33-18-22)38-24-4-1-3-20(16-24)15-19-5-9-23(10-6-19)35-27(37)21-7-11-25(32-17-21)36-14-2-13-34-36/h1-4,7-8,11-18,23H,5-6,9-10H2,(H,35,37)/b19-15-
InChIKeyORJBYEMQZLRYPL-CYVLTUHYSA-N
MW519.53 g/mol
LogP6.23
Rot. Bonds6

About 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463802) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463802
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC Name6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)22-8-12-26(33-18-22)38-24-4-1-3-20(16-24)15-19-5-9-23(10-6-19)35-27(37)21-7-11-25(32-17-21)36-14-2-13-34-36/h1-4,7-8,11-18,23H,5-6,9-10H2,(H,35,37)/b19-15-
InChIKeyORJBYEMQZLRYPL-CYVLTUHYSA-N
XLogP6.23
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463802) is 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is ORJBYEMQZLRYPL-CYVLTUHYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c29-28(30,31)22-8-12-26(33-18-22)38-24-4-1-3-20(16-24)15-19-5-9-23(10-6-19)35-27(37)21-7-11-25(32-17-21)36-14-2-13-34-36/h1-4,7-8,11-18,23H,5-6,9-10H2,(H,35,37)/b19-15-.
What are the key properties of 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 519.53 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).