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

C16H13FN6O — CID 135882233

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O
InChIInChI=1S/C16H13FN6O/c1-22-16(24)19-14(21-22)13-11-6-4-8-18-15(11)23(20-13)9-10-5-2-3-7-12(10)17/h2-8H,9H2,1H3,(H,19,21,24)
InChIKeyMDSVIOSZTWLQQX-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.71
Rot. Bonds3

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

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one (PubChem CID 135882233) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one
PubChem CID135882233
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one
SMILESCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O
InChIInChI=1S/C16H13FN6O/c1-22-16(24)19-14(21-22)13-11-6-4-8-18-15(11)23(20-13)9-10-5-2-3-7-12(10)17/h2-8H,9H2,1H3,(H,19,21,24)
InChIKeyMDSVIOSZTWLQQX-UHFFFAOYSA-N
XLogP1.71
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one (CID 135882233) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one is Cn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is MDSVIOSZTWLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-22-16(24)19-14(21-22)13-11-6-4-8-18-15(11)23(20-13)9-10-5-2-3-7-12(10)17/h2-8H,9H2,1H3,(H,19,21,24).
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 324.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 135882233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).