1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one

C16H14FN3O2 — CID 175932478

IUPAC1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1cc(-c2ccc(F)nc2)c2ccnn2c1
InChIInChI=1S/C16H14FN3O2/c1-16(2,22)15(21)11-7-12(10-3-4-14(17)18-8-10)13-5-6-19-20(13)9-11/h3-9,22H,1-2H3
InChIKeyPTCRVIBKTUZODW-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.49
Rot. Bonds3

About 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one

1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 175932478) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID175932478
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1cc(-c2ccc(F)nc2)c2ccnn2c1
InChIInChI=1S/C16H14FN3O2/c1-16(2,22)15(21)11-7-12(10-3-4-14(17)18-8-10)13-5-6-19-20(13)9-11/h3-9,22H,1-2H3
InChIKeyPTCRVIBKTUZODW-UHFFFAOYSA-N
XLogP2.49
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone
CID 58362655
4-cyclopropyl-N-[(2S)-3,3-dimethyl-4-(methylamino)-4-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
CID 129216320
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
CID 169408045
1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 168885315
N-[4-(1,1-difluoroethoxy)phenyl]-5-(6-fluoro-3-pyridinyl)-6-methylpyridine-3-carboxamide
CID 147580411
4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(6-fluoro-3-pyridinyl)benzamide
CID 135350898
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037
3-[3-(cyclopropylsulfonylmethyl)-5-(6-fluoro-3-pyridinyl)phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 167605149
2-(6-fluoro-3-pyridinyl)propan-2-ol
CID 69476595
5-(2,3-difluorophenyl)-2-fluoropyridine
CID 133088992
tert-butyl 6-fluoropyridine-3-carboxylate
CID 66756622
disodium;4-bromo-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-(6-fluoro-3-pyridinyl)-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydride;oxido formate;palladium;tetrakis(triphenylphosphane)
CID 167601208

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one (CID 175932478) is 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1cc(-c2ccc(F)nc2)c2ccnn2c1.
What is the InChIKey of 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is PTCRVIBKTUZODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-16(2,22)15(21)11-7-12(10-3-4-14(17)18-8-10)13-5-6-19-20(13)9-11/h3-9,22H,1-2H3.
What are the key properties of 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one?
1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 299.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 175932478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).