3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one

C30H24FN3O3 — CID 158614187

IUPAC3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3ccccc23)c(F)c1)c1c2n(n(-c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C30H24FN3O3/c31-23-18-20(13-14-28(23)37-27-15-16-32-24-11-5-4-10-22(24)27)19-26(35)29-25-12-6-7-17-33(25)34(30(29)36)21-8-2-1-3-9-21/h1-5,8-11,13-16,18H,6-7,12,17,19H2
InChIKeyHXEQMTIDGWZTBG-UHFFFAOYSA-N
MW493.54 g/mol
LogP5.88
Rot. Bonds6

About 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one

3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one (PubChem CID 158614187) has the molecular formula C30H24FN3O3 and a molecular weight of 493.54 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
PubChem CID158614187
Molecular FormulaC30H24FN3O3
Molecular Weight493.54 g/mol
Exact Mass493.18
IUPAC Name3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3ccccc23)c(F)c1)c1c2n(n(-c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C30H24FN3O3/c31-23-18-20(13-14-28(23)37-27-15-16-32-24-11-5-4-10-22(24)27)19-26(35)29-25-12-6-7-17-33(25)34(30(29)36)21-8-2-1-3-9-21/h1-5,8-11,13-16,18H,6-7,12,17,19H2
InChIKeyHXEQMTIDGWZTBG-UHFFFAOYSA-N
XLogP5.88
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-1-(2-hydroxyethyl)-5-methyl-2-phenylpyrazol-3-one
CID 58268808
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 159265292
3-[2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-methylphenyl]acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 158942229
4-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-5-[[ethyl(methyl)amino]methyl]-1-methyl-2-phenylpyrazol-3-one
CID 58268803
1-(2,2-dimethylpropyl)-4-[2-[3-fluoro-4-[2-(methylamino)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]-5-methyl-2-phenylpyrazol-3-one
CID 58268813
N-[6-[2-fluoro-4-[2-(3-methyl-5-oxo-1-phenyl-2-propylpyrazol-4-yl)-2-oxoethyl]phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide
CID 58268845
6-[(dimethylamino)methyl]-4-[2-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetyl]-2-phenylpyridazin-3-one
CID 58268690
4-[2-[3-fluoro-4-[5-(4-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58368384
2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 151835323
1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-5-[(dimethylamino)methyl]-3-phenyl-1,3-diazinan-2-one
CID 58268739
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
[(2S)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-methylpropanoate
CID 59491042

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one?
The IUPAC name of 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one (CID 158614187) is 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one.
What is the SMILES notation for 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one?
The canonical SMILES for 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one is O=C(Cc1ccc(Oc2ccnc3ccccc23)c(F)c1)c1c2n(n(-c3ccccc3)c1=O)CCCC2.
What is the InChIKey of 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one?
The InChIKey is HXEQMTIDGWZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O3/c31-23-18-20(13-14-28(23)37-27-15-16-32-24-11-5-4-10-22(24)27)19-26(35)29-25-12-6-7-17-33(25)34(30(29)36)21-8-2-1-3-9-21/h1-5,8-11,13-16,18H,6-7,12,17,19H2.
What are the key properties of 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one?
3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one has a molecular weight of 493.54 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one is sourced from PubChem (CID 158614187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).