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

C23H18ClFN4O2 — CID 69072516

IUPAC4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(COc2ccccc2Cl)ccn1
InChIInChI=1S/C23H18ClFN4O2/c24-19-6-2-4-8-22(19)31-15-16-9-10-26-21(11-16)23(30)28-18-12-27-29(14-18)13-17-5-1-3-7-20(17)25/h1-12,14H,13,15H2,(H,28,30)
InChIKeyWWJZTBAHRTXQAL-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.95
Rot. Bonds7

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

4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 69072516) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID69072516
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(COc2ccccc2Cl)ccn1
InChIInChI=1S/C23H18ClFN4O2/c24-19-6-2-4-8-22(19)31-15-16-9-10-26-21(11-16)23(30)28-18-12-27-29(14-18)13-17-5-1-3-7-20(17)25/h1-12,14H,13,15H2,(H,28,30)
InChIKeyWWJZTBAHRTXQAL-UHFFFAOYSA-N
XLogP4.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 69072516) is 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(COc2ccccc2Cl)ccn1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is WWJZTBAHRTXQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-19-6-2-4-8-22(19)31-15-16-9-10-26-21(11-16)23(30)28-18-12-27-29(14-18)13-17-5-1-3-7-20(17)25/h1-12,14H,13,15H2,(H,28,30).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide?
4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 69072516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).