2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid

C23H18FN3O4 — CID 135355269

IUPAC2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C23H18FN3O4/c1-26-13-20(19(10-22(26)28)14-3-5-16(24)6-4-14)15-11-25-27(12-15)21-9-17(31-2)7-8-18(21)23(29)30/h3-13H,1-2H3,(H,29,30)
InChIKeyANLFZCCZUKEVAA-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid

2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid (PubChem CID 135355269) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid
PubChem CID135355269
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C23H18FN3O4/c1-26-13-20(19(10-22(26)28)14-3-5-16(24)6-4-14)15-11-25-27(12-15)21-9-17(31-2)7-8-18(21)23(29)30/h3-13H,1-2H3,(H,29,30)
InChIKeyANLFZCCZUKEVAA-UHFFFAOYSA-N
XLogP3.75
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid (CID 135355269) is 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccc(F)cc3)cn2)c1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid?
The InChIKey is ANLFZCCZUKEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-26-13-20(19(10-22(26)28)14-3-5-16(24)6-4-14)15-11-25-27(12-15)21-9-17(31-2)7-8-18(21)23(29)30/h3-13H,1-2H3,(H,29,30).
What are the key properties of 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid?
2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid has a molecular weight of 419.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]-4-methoxybenzoic acid is sourced from PubChem (CID 135355269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).