N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide

C24H20ClFN4O2 — CID 58539035

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-n2cccn2)cc1Cl
InChIInChI=1S/C24H20ClFN4O2/c1-15-8-17(11-19(26)9-15)18-12-20(23(27-14-18)30-7-3-6-29-30)24(31)28-13-16-4-5-22(32-2)21(25)10-16/h3-12,14H,13H2,1-2H3,(H,28,31)
InChIKeyOODJGGMPJZUYCJ-UHFFFAOYSA-N
MW450.90 g/mol
LogP4.97
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide

N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 58539035) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID58539035
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-n2cccn2)cc1Cl
InChIInChI=1S/C24H20ClFN4O2/c1-15-8-17(11-19(26)9-15)18-12-20(23(27-14-18)30-7-3-6-29-30)24(31)28-13-16-4-5-22(32-2)21(25)10-16/h3-12,14H,13H2,1-2H3,(H,28,31)
InChIKeyOODJGGMPJZUYCJ-UHFFFAOYSA-N
XLogP4.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide (CID 58539035) is N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(F)c3)cnc2-n2cccn2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is OODJGGMPJZUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c1-15-8-17(11-19(26)9-15)18-12-20(23(27-14-18)30-7-3-6-29-30)24(31)28-13-16-4-5-22(32-2)21(25)10-16/h3-12,14H,13H2,1-2H3,(H,28,31).
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 450.90 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 58539035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).