3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

C15H11FN6O — CID 135882249

IUPAC3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]1
InChIInChI=1S/C15H11FN6O/c16-11-6-2-1-4-9(11)8-22-14-10(5-3-7-17-14)12(21-22)13-18-15(23)20-19-13/h1-7H,8H2,(H2,18,19,20,23)
InChIKeySYQMYTUNIUZPQN-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.70
Rot. Bonds3

About 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 135882249) has the molecular formula C15H11FN6O and a molecular weight of 310.29 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID135882249
Molecular FormulaC15H11FN6O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]1
InChIInChI=1S/C15H11FN6O/c16-11-6-2-1-4-9(11)8-22-14-10(5-3-7-17-14)12(21-22)13-18-15(23)20-19-13/h1-7H,8H2,(H2,18,19,20,23)
InChIKeySYQMYTUNIUZPQN-UHFFFAOYSA-N
XLogP1.70
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 135882249) is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is SYQMYTUNIUZPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O/c16-11-6-2-1-4-9(11)8-22-14-10(5-3-7-17-14)12(21-22)13-18-15(23)20-19-13/h1-7H,8H2,(H2,18,19,20,23).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 310.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 135882249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).