1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid

C16H14N2O4 — CID 175025712

IUPAC1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2c(=O)c(C(=O)O)c3ccccn32)cc1
InChIInChI=1S/C16H14N2O4/c1-22-12-7-5-11(6-8-12)10-18-15(19)14(16(20)21)13-4-2-3-9-17(13)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyVDUPVXGJOCVXGP-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.86
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid

1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 175025712) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID175025712
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2c(=O)c(C(=O)O)c3ccccn32)cc1
InChIInChI=1S/C16H14N2O4/c1-22-12-7-5-11(6-8-12)10-18-15(19)14(16(20)21)13-4-2-3-9-17(13)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyVDUPVXGJOCVXGP-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxo-N-[2,3,5,6-tetrafluoro-4-(3-propoxyphenyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 170550029
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
CID 50837579
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815605
6-hydroxy-4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512982

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 175025712) is 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid is COc1ccc(Cn2c(=O)c(C(=O)O)c3ccccn32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is VDUPVXGJOCVXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-12-7-5-11(6-8-12)10-18-15(19)14(16(20)21)13-4-2-3-9-17(13)18/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid?
1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-oxopyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 175025712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).