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

C16H11FN4O2 — CID 157406847

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2nn(Cc3ccccc3F)c3ncccc23)O1
InChIInChI=1S/C16H11FN4O2/c17-12-6-2-1-4-10(12)9-21-15-11(5-3-7-18-15)14(20-21)16-19-8-13(22)23-16/h1-7H,8-9H2
InChIKeyBNUWVCNUTGCXTG-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.92
Rot. Bonds3

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one (PubChem CID 157406847) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
PubChem CID157406847
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
SMILESO=C1CN=C(c2nn(Cc3ccccc3F)c3ncccc23)O1
InChIInChI=1S/C16H11FN4O2/c17-12-6-2-1-4-10(12)9-21-15-11(5-3-7-18-15)14(20-21)16-19-8-13(22)23-16/h1-7H,8-9H2
InChIKeyBNUWVCNUTGCXTG-UHFFFAOYSA-N
XLogP1.92
TPSA69.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137194144
1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one
CID 130249985
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2-propyl-4H-1,2,4-triazol-3-one
CID 135882265
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
CID 56597206
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
CID 56598243
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
5-N-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 163681818
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
CID 130229228
3-[4,6-diamino-5-(sulfinamoylamino)pyrimidin-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 130245216
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
1-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-ol
CID 134499366

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one (CID 157406847) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one is O=C1CN=C(c2nn(Cc3ccccc3F)c3ncccc23)O1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one?
The InChIKey is BNUWVCNUTGCXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-12-6-2-1-4-10(12)9-21-15-11(5-3-7-18-15)14(20-21)16-19-8-13(22)23-16/h1-7H,8-9H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one has a molecular weight of 310.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one is sourced from PubChem (CID 157406847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).