4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide

C23H18F2N4O2 — CID 69072215

IUPAC4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cccc(F)c2)ccn1
InChIInChI=1S/C23H18F2N4O2/c24-18-6-4-16(5-7-18)13-29-14-20(12-27-29)28-23(30)22-10-17(8-9-26-22)15-31-21-3-1-2-19(25)11-21/h1-12,14H,13,15H2,(H,28,30)
InChIKeyFMKVVPRLFFTJDB-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.44
Rot. Bonds7

About 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide

4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 69072215) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID69072215
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cccc(F)c2)ccn1
InChIInChI=1S/C23H18F2N4O2/c24-18-6-4-16(5-7-18)13-29-14-20(12-27-29)28-23(30)22-10-17(8-9-26-22)15-31-21-3-1-2-19(25)11-21/h1-12,14H,13,15H2,(H,28,30)
InChIKeyFMKVVPRLFFTJDB-UHFFFAOYSA-N
XLogP4.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-[[2-fluoro-5-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
CID 69070537
5-[(3-chlorophenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19336414
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
CID 19407715
4-[(3-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19493164
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19469491
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19410058
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
4-[(2-chloro-5-fluorophenoxy)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridine-2-carboxamide
CID 69072612
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413216
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 69072215) is 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(COc2cccc(F)c2)ccn1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is FMKVVPRLFFTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-18-6-4-16(5-7-18)13-29-14-20(12-27-29)28-23(30)22-10-17(8-9-26-22)15-31-21-3-1-2-19(25)11-21/h1-12,14H,13,15H2,(H,28,30).
What are the key properties of 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 69072215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).