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

C23H20N4O5 — CID 135355208

IUPAC4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
SMILESCOc1ccc(C(=O)O)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccnc(OC)c3)cn2)c1
InChIInChI=1S/C23H20N4O5/c1-26-13-19(18(10-22(26)28)14-6-7-24-21(8-14)32-3)15-11-25-27(12-15)20-9-16(31-2)4-5-17(20)23(29)30/h4-13H,1-3H3,(H,29,30)
InChIKeyRJJVHEFHDWJITN-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.02
Rot. Bonds6

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

4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid (PubChem CID 135355208) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
PubChem CID135355208
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Name4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid
SMILESCOc1ccc(C(=O)O)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccnc(OC)c3)cn2)c1
InChIInChI=1S/C23H20N4O5/c1-26-13-19(18(10-22(26)28)14-6-7-24-21(8-14)32-3)15-11-25-27(12-15)20-9-16(31-2)4-5-17(20)23(29)30/h4-13H,1-3H3,(H,29,30)
InChIKeyRJJVHEFHDWJITN-UHFFFAOYSA-N
XLogP3.02
TPSA108.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid (CID 135355208) is 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid is COc1ccc(C(=O)O)c(-n2cc(-c3cn(C)c(=O)cc3-c3ccnc(OC)c3)cn2)c1.
What is the InChIKey of 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
The InChIKey is RJJVHEFHDWJITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-26-13-19(18(10-22(26)28)14-6-7-24-21(8-14)32-3)15-11-25-27(12-15)20-9-16(31-2)4-5-17(20)23(29)30/h4-13H,1-3H3,(H,29,30).
What are the key properties of 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid?
4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid has a molecular weight of 432.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[4-(2-methoxy-4-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 135355208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).