3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

C31H25F2N3O4 — CID 160562064

IUPAC3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=C(Cc1ccc(Oc2cc(C3CCOCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C31H25F2N3O4/c32-23-4-6-24(7-5-23)35-13-1-2-25(31(35)38)28(37)17-20-3-8-29(26(33)16-20)40-30-18-22(21-10-14-39-15-11-21)19-36-27(30)9-12-34-36/h1-9,12-13,16,18-19,21H,10-11,14-15,17H2
InChIKeyQZLFOQZPIFVFBI-UHFFFAOYSA-N
MW541.55 g/mol
LogP5.88
Rot. Bonds7

About 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one

3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (PubChem CID 160562064) has the molecular formula C31H25F2N3O4 and a molecular weight of 541.55 g/mol. Its IUPAC name is 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
PubChem CID160562064
Molecular FormulaC31H25F2N3O4
Molecular Weight541.55 g/mol
Exact Mass541.18
IUPAC Name3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=C(Cc1ccc(Oc2cc(C3CCOCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C31H25F2N3O4/c32-23-4-6-24(7-5-23)35-13-1-2-25(31(35)38)28(37)17-20-3-8-29(26(33)16-20)40-30-18-22(21-10-14-39-15-11-21)19-36-27(30)9-12-34-36/h1-9,12-13,16,18-19,21H,10-11,14-15,17H2
InChIKeyQZLFOQZPIFVFBI-UHFFFAOYSA-N
XLogP5.88
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.55
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 152834497
3-[2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 147404576
1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one
CID 159881236
1-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyridin-4-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118203931
5-[2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-3-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 149417288
5-[2-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-oxoethyl]phenoxy]-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 158940792
1-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2-oxopyridine-3-carboxamide
CID 118197847
3-[2-[4-[5-(1-cyclohexylpyrazol-4-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 159817869
4-[2-[3-fluoro-4-[2-(4-oxocyclohexyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 123364408
3-[2-[4-[5-(4-aminophenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 160996124
4-[2-[3-fluoro-4-[2-(1-methylpiperidin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 123172228
4-[2-[3-fluoro-4-[[3-(2-morpholin-4-ylethoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]acetyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 58286882

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one (CID 160562064) is 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is O=C(Cc1ccc(Oc2cc(C3CCOCC3)cn3nccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
The InChIKey is QZLFOQZPIFVFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N3O4/c32-23-4-6-24(7-5-23)35-13-1-2-25(31(35)38)28(37)17-20-3-8-29(26(33)16-20)40-30-18-22(21-10-14-39-15-11-21)19-36-27(30)9-12-34-36/h1-9,12-13,16,18-19,21H,10-11,14-15,17H2.
What are the key properties of 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one?
3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one has a molecular weight of 541.55 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 160562064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).