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

C17H15FN6O — CID 135882234

IUPAC2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one
SMILESCCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O
InChIInChI=1S/C17H15FN6O/c1-2-23-17(25)20-15(22-23)14-12-7-5-9-19-16(12)24(21-14)10-11-6-3-4-8-13(11)18/h3-9H,2,10H2,1H3,(H,20,22,25)
InChIKeyOTADBZCYYZPKGB-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.19
Rot. Bonds4

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

2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one (PubChem CID 135882234) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one
PubChem CID135882234
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one
SMILESCCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O
InChIInChI=1S/C17H15FN6O/c1-2-23-17(25)20-15(22-23)14-12-7-5-9-19-16(12)24(21-14)10-11-6-3-4-8-13(11)18/h3-9H,2,10H2,1H3,(H,20,22,25)
InChIKeyOTADBZCYYZPKGB-UHFFFAOYSA-N
XLogP2.19
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one (CID 135882234) is 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one is CCn1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=O.
What is the InChIKey of 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one?
The InChIKey is OTADBZCYYZPKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-2-23-17(25)20-15(22-23)14-12-7-5-9-19-16(12)24(21-14)10-11-6-3-4-8-13(11)18/h3-9H,2,10H2,1H3,(H,20,22,25).
What are the key properties of 2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one?
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-triazol-3-one has a molecular weight of 338.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 135882234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).