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

C18H17FN6O — CID 135882265

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
SMILESCCCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O
InChIInChI=1S/C18H17FN6O/c1-2-10-24-18(26)21-16(23-24)15-13-7-5-9-20-17(13)25(22-15)11-12-6-3-4-8-14(12)19/h3-9H,2,10-11H2,1H3,(H,21,23,26)
InChIKeyVNECETXWNSRHHN-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.58
Rot. Bonds5

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

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one (PubChem CID 135882265) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
PubChem CID135882265
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
SMILESCCCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O
InChIInChI=1S/C18H17FN6O/c1-2-10-24-18(26)21-16(23-24)15-13-7-5-9-20-17(13)25(22-15)11-12-6-3-4-8-14(12)19/h3-9H,2,10-11H2,1H3,(H,21,23,26)
InChIKeyVNECETXWNSRHHN-UHFFFAOYSA-N
XLogP2.58
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.58
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-propyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one (CID 135882265) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-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-propyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one is CCCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one?
The InChIKey is VNECETXWNSRHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-2-10-24-18(26)21-16(23-24)15-13-7-5-9-20-17(13)25(22-15)11-12-6-3-4-8-14(12)19/h3-9H,2,10-11H2,1H3,(H,21,23,26).
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one has a molecular weight of 352.37 g/mol, XLogP of 2.58, 5 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-propyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 135882265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).