5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C19H16N6O4 — CID 67774030

IUPAC5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
InChIInChI=1S/C19H16N6O4/c1-24-16(13(10-20-24)19(27)28)18(26)21-11-7-8-25-15(9-11)22-17(23-25)12-5-3-4-6-14(12)29-2/h3-10H,1-2H3,(H,21,26)(H,27,28)
InChIKeyQHWCICYRAQIWKZ-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.09
Rot. Bonds5

About 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 67774030) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID67774030
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Name5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
InChIInChI=1S/C19H16N6O4/c1-24-16(13(10-20-24)19(27)28)18(26)21-11-7-8-25-15(9-11)22-17(23-25)12-5-3-4-6-14(12)29-2/h3-10H,1-2H3,(H,21,26)(H,27,28)
InChIKeyQHWCICYRAQIWKZ-UHFFFAOYSA-N
XLogP2.09
TPSA123.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 67774030) is 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is COc1ccccc1-c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1.
What is the InChIKey of 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is QHWCICYRAQIWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O4/c1-24-16(13(10-20-24)19(27)28)18(26)21-11-7-8-25-15(9-11)22-17(23-25)12-5-3-4-6-14(12)29-2/h3-10H,1-2H3,(H,21,26)(H,27,28).
What are the key properties of 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 392.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67774030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).