5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one

C27H18F2N4O4 — CID 167612571

IUPAC5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one
SMILESO=C(Cc1ccc(Oc2ccnc3ccnn23)c(F)c1)c1c2c(cn(-c3ccc(F)cc3)c1=O)CCO2
InChIInChI=1S/C27H18F2N4O4/c28-18-2-4-19(5-3-18)32-15-17-9-12-36-26(17)25(27(32)35)21(34)14-16-1-6-22(20(29)13-16)37-24-8-10-30-23-7-11-31-33(23)24/h1-8,10-11,13,15H,9,12,14H2
InChIKeyLGPYBSPBEHLPNZ-UHFFFAOYSA-N
MW500.46 g/mol
LogP4.31
Rot. Bonds6

About 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one

5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one (PubChem CID 167612571) has the molecular formula C27H18F2N4O4 and a molecular weight of 500.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one
PubChem CID167612571
Molecular FormulaC27H18F2N4O4
Molecular Weight500.46 g/mol
Exact Mass500.13
IUPAC Name5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one
SMILESO=C(Cc1ccc(Oc2ccnc3ccnn23)c(F)c1)c1c2c(cn(-c3ccc(F)cc3)c1=O)CCO2
InChIInChI=1S/C27H18F2N4O4/c28-18-2-4-19(5-3-18)32-15-17-9-12-36-26(17)25(27(32)35)21(34)14-16-1-6-22(20(29)13-16)37-24-8-10-30-23-7-11-31-33(23)24/h1-8,10-11,13,15H,9,12,14H2
InChIKeyLGPYBSPBEHLPNZ-UHFFFAOYSA-N
XLogP4.31
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-fluoro-4-[2-[5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridin-7-yl]-2-oxoethyl]phenoxy]-7-(2-morpholin-4-ylethoxy)quinoline-6-carbonitrile
CID 167599329
7-[2-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-(4-fluorophenyl)-2,3-dihydrofuro[3,2-c]pyridin-6-one
CID 167627134
1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one
CID 159881236
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779514
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742
N-[3-fluoro-4-[2-[5-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779638
N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779517
N-[3-fluoro-4-[2-[5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 155779616
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-4-ethoxy-1-(4-fluorophenyl)pyridin-2-one
CID 167680891
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
1-(4-fluorophenyl)-3-[2-[3-fluoro-4-[5-(1,3-thiazol-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-4-methylpyridin-2-one
CID 160955496
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one?
The IUPAC name of 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one (CID 167612571) is 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one is O=C(Cc1ccc(Oc2ccnc3ccnn23)c(F)c1)c1c2c(cn(-c3ccc(F)cc3)c1=O)CCO2.
What is the InChIKey of 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one?
The InChIKey is LGPYBSPBEHLPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N4O4/c28-18-2-4-19(5-3-18)32-15-17-9-12-36-26(17)25(27(32)35)21(34)14-16-1-6-22(20(29)13-16)37-24-8-10-30-23-7-11-31-33(23)24/h1-8,10-11,13,15H,9,12,14H2.
What are the key properties of 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one?
5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one has a molecular weight of 500.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-[2-(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-7-yloxyphenyl)acetyl]-2,3-dihydrofuro[3,2-c]pyridin-6-one is sourced from PubChem (CID 167612571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).