4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid

C16H14N4O3 — CID 170502603

IUPAC4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2cc(-c3cccnc3)nn2C)c(=O)c1C(=O)O
InChIInChI=1S/C16H14N4O3/c1-10-5-7-20(15(21)14(10)16(22)23)13-8-12(18-19(13)2)11-4-3-6-17-9-11/h3-9H,1-2H3,(H,22,23)
InChIKeyLVWGCYWDGDORLQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.64
Rot. Bonds3

About 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid

4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid (PubChem CID 170502603) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid
PubChem CID170502603
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2cc(-c3cccnc3)nn2C)c(=O)c1C(=O)O
InChIInChI=1S/C16H14N4O3/c1-10-5-7-20(15(21)14(10)16(22)23)13-8-12(18-19(13)2)11-4-3-6-17-9-11/h3-9H,1-2H3,(H,22,23)
InChIKeyLVWGCYWDGDORLQ-UHFFFAOYSA-N
XLogP1.64
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370874
4-methyl-2-oxo-1-(2,4,6-trimethylphenyl)pyridine-3-carboxylic acid
CID 82123884
4-methyl-2-pyridin-3-ylbenzene-1,3-dicarboxylic acid
CID 151934643
S-[1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705858
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid
CID 170504906
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
5-[2-(dimethylamino)ethyl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrazin-4-one
CID 171146201
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 165478239
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714693

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid (CID 170502603) is 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid is Cc1ccn(-c2cc(-c3cccnc3)nn2C)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is LVWGCYWDGDORLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-5-7-20(15(21)14(10)16(22)23)13-8-12(18-19(13)2)11-4-3-6-17-9-11/h3-9H,1-2H3,(H,22,23).
What are the key properties of 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid?
4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170502603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).