N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide

C24H17F5N4O2 — CID 69070537

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cc(C(F)(F)F)ccc2F)ccn1
InChIInChI=1S/C24H17F5N4O2/c25-18-4-1-15(2-5-18)12-33-13-19(11-31-33)32-23(34)21-9-16(7-8-30-21)14-35-22-10-17(24(27,28)29)3-6-20(22)26/h1-11,13H,12,14H2,(H,32,34)
InChIKeyAJOWVFYCBWJCAU-UHFFFAOYSA-N
MW488.42 g/mol
LogP5.45
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide (PubChem CID 69070537) has the molecular formula C24H17F5N4O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
PubChem CID69070537
Molecular FormulaC24H17F5N4O2
Molecular Weight488.42 g/mol
Exact Mass488.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cc(C(F)(F)F)ccc2F)ccn1
InChIInChI=1S/C24H17F5N4O2/c25-18-4-1-15(2-5-18)12-33-13-19(11-31-33)32-23(34)21-9-16(7-8-30-21)14-35-22-10-17(24(27,28)29)3-6-20(22)26/h1-11,13H,12,14H2,(H,32,34)
InChIKeyAJOWVFYCBWJCAU-UHFFFAOYSA-N
XLogP5.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 69072215
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715
4-[(2,5-dichlorophenoxy)methyl]-N-[1-(4-fluorobutyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 69070605
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
3-[(2-methoxyphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346822
4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide
CID 69072612
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
4-[(2-chlorophenoxy)methyl]-N-[1-(3-pyrrol-1-ylpropyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 69075285
3-[(3-chlorophenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346774
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19410058
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447776

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide (CID 69070537) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cc(C(F)(F)F)ccc2F)ccn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is AJOWVFYCBWJCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N4O2/c25-18-4-1-15(2-5-18)12-33-13-19(11-31-33)32-23(34)21-9-16(7-8-30-21)14-35-22-10-17(24(27,28)29)3-6-20(22)26/h1-11,13H,12,14H2,(H,32,34).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 488.42 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 69070537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).