5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C17H12FN7O3 — CID 67775880

IUPAC5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C17H12FN7O3/c1-24-13(11(8-20-24)17(27)28)16(26)21-9-4-6-25-12(7-9)22-15(23-25)10-3-2-5-19-14(10)18/h2-8H,1H3,(H,21,26)(H,27,28)
InChIKeyCACUICBSQINPPT-UHFFFAOYSA-N
MW381.33 g/mol
LogP1.61
Rot. Bonds4

About 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 67775880) has the molecular formula C17H12FN7O3 and a molecular weight of 381.33 g/mol. Its IUPAC name is 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID67775880
Molecular FormulaC17H12FN7O3
Molecular Weight381.33 g/mol
Exact Mass381.10
IUPAC Name5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1
InChIInChI=1S/C17H12FN7O3/c1-24-13(11(8-20-24)17(27)28)16(26)21-9-4-6-25-12(7-9)22-15(23-25)10-3-2-5-19-14(10)18/h2-8H,1H3,(H,21,26)(H,27,28)
InChIKeyCACUICBSQINPPT-UHFFFAOYSA-N
XLogP1.61
TPSA127.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 67775880) is 5-[[2-(2-fluoro-3-pyridinyl)-[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-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1.
What is the InChIKey of 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is CACUICBSQINPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O3/c1-24-13(11(8-20-24)17(27)28)16(26)21-9-4-6-25-12(7-9)22-15(23-25)10-3-2-5-19-14(10)18/h2-8H,1H3,(H,21,26)(H,27,28).
What are the key properties of 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 381.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67775880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).