2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid

C18H15FN6O2 — CID 130229228

IUPAC2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
SMILESCCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)O
InChIInChI=1S/C18H15FN6O2/c1-2-24-17(18(26)27)21-15(23-24)14-12-7-5-9-20-16(12)25(22-14)10-11-6-3-4-8-13(11)19/h3-9H,2,10H2,1H3,(H,26,27)
InChIKeyLPOWVVFHBVXKEH-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.60
Rot. Bonds5

About 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid

2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid (PubChem CID 130229228) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
PubChem CID130229228
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
SMILESCCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)O
InChIInChI=1S/C18H15FN6O2/c1-2-24-17(18(26)27)21-15(23-24)14-12-7-5-9-20-16(12)25(22-14)10-11-6-3-4-8-13(11)19/h3-9H,2,10H2,1H3,(H,26,27)
InChIKeyLPOWVVFHBVXKEH-UHFFFAOYSA-N
XLogP2.60
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid (CID 130229228) is 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid is CCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid?
The InChIKey is LPOWVVFHBVXKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-2-24-17(18(26)27)21-15(23-24)14-12-7-5-9-20-16(12)25(22-14)10-11-6-3-4-8-13(11)19/h3-9H,2,10H2,1H3,(H,26,27).
What are the key properties of 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid?
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid has a molecular weight of 366.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 130229228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).