5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C17H12FN7O3 — CID 67773362

IUPAC5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)N(c1ccn2ncnc2c1)c1cccc(F)n1
InChIInChI=1S/C17H12FN7O3/c1-23-15(11(8-20-23)17(27)28)16(26)25(13-4-2-3-12(18)22-13)10-5-6-24-14(7-10)19-9-21-24/h2-9H,1H3,(H,27,28)
InChIKeyPOSCGCZSMANARQ-UHFFFAOYSA-N
MW381.33 g/mol
LogP1.67
Rot. Bonds4

About 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 67773362) has the molecular formula C17H12FN7O3 and a molecular weight of 381.33 g/mol. Its IUPAC name is 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID67773362
Molecular FormulaC17H12FN7O3
Molecular Weight381.33 g/mol
Exact Mass381.10
IUPAC Name5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)N(c1ccn2ncnc2c1)c1cccc(F)n1
InChIInChI=1S/C17H12FN7O3/c1-23-15(11(8-20-23)17(27)28)16(26)25(13-4-2-3-12(18)22-13)10-5-6-24-14(7-10)19-9-21-24/h2-9H,1H3,(H,27,28)
InChIKeyPOSCGCZSMANARQ-UHFFFAOYSA-N
XLogP1.67
TPSA118.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
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-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 67773362) is 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)N(c1ccn2ncnc2c1)c1cccc(F)n1.
What is the InChIKey of 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is POSCGCZSMANARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O3/c1-23-15(11(8-20-23)17(27)28)16(26)25(13-4-2-3-12(18)22-13)10-5-6-24-14(7-10)19-9-21-24/h2-9H,1H3,(H,27,28).
What are the key properties of 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[(6-fluoro-2-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 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2-pyridinyl)-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 67773362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).