2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H14FN5O — CID 71656464

IUPAC2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1cc(-c2ccc(Cn3nc4ccccn4c3=O)c(F)c2)cn1
InChIInChI=1S/C17H14FN5O/c1-21-10-14(9-19-21)12-5-6-13(15(18)8-12)11-23-17(24)22-7-3-2-4-16(22)20-23/h2-10H,11H2,1H3
InChIKeyQIZYWMHZBQDJDA-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.08
Rot. Bonds3

About 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71656464) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71656464
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1cc(-c2ccc(Cn3nc4ccccn4c3=O)c(F)c2)cn1
InChIInChI=1S/C17H14FN5O/c1-21-10-14(9-19-21)12-5-6-13(15(18)8-12)11-23-17(24)22-7-3-2-4-16(22)20-23/h2-10H,11H2,1H3
InChIKeyQIZYWMHZBQDJDA-UHFFFAOYSA-N
XLogP2.08
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

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CID 44217846
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
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[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
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CID 50972066
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyridin-2-one
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CID 118709026
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CID 177377712
4-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-pyrazol-1-ylethyl)-1H-1,2,4-triazol-5-one
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CID 50965821
5-(1-ethyl-1H-pyrazol-3-yl)-4-[2-(2-fluorophenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
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4-[(3,5-Difluorophenyl)methyl]-11-(4-propan-2-ylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-5-one
CID 53332087
4-ethyl-3-[(3S)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71656464) is 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1cc(-c2ccc(Cn3nc4ccccn4c3=O)c(F)c2)cn1.
What is the InChIKey of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QIZYWMHZBQDJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-21-10-14(9-19-21)12-5-6-13(15(18)8-12)11-23-17(24)22-7-3-2-4-16(22)20-23/h2-10H,11H2,1H3.
What are the key properties of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 323.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71656464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).