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

C34H26F2N4O5 — CID 158940792

IUPAC5-[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
SMILESCOc1ccc(CN2Cc3c(Oc4ccc(CC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)ccnc3NC2=O)cc1
InChIInChI=1S/C34H26F2N4O5/c1-44-25-11-4-21(5-12-25)19-39-20-27-30(14-15-37-32(27)38-34(39)43)45-31-13-6-22(17-28(31)36)18-29(41)26-3-2-16-40(33(26)42)24-9-7-23(35)8-10-24/h2-17H,18-20H2,1H3,(H,37,38,43)
InChIKeyJKFIREXEFJYDBB-UHFFFAOYSA-N
MW608.60 g/mol
LogP6.28
Rot. Bonds9

About 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

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 (PubChem CID 158940792) has the molecular formula C34H26F2N4O5 and a molecular weight of 608.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID158940792
Molecular FormulaC34H26F2N4O5
Molecular Weight608.60 g/mol
Exact Mass608.19
IUPAC Name5-[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
SMILESCOc1ccc(CN2Cc3c(Oc4ccc(CC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)ccnc3NC2=O)cc1
InChIInChI=1S/C34H26F2N4O5/c1-44-25-11-4-21(5-12-25)19-39-20-27-30(14-15-37-32(27)38-34(39)43)45-31-13-6-22(17-28(31)36)18-29(41)26-3-2-16-40(33(26)42)24-9-7-23(35)8-10-24/h2-17H,18-20H2,1H3,(H,37,38,43)
InChIKeyJKFIREXEFJYDBB-UHFFFAOYSA-N
XLogP6.28
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.60
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-[3-fluoro-4-[6-(oxan-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)pyridin-2-one
CID 160562064
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
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
1-(3,4-difluorophenyl)-3-[4-[[3-[(4-methoxyphenyl)methyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]urea
CID 70498846
1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea
CID 70498366
2-chloro-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(4-fluorophenyl)-1-methylpyridin-4-one
CID 167640769
1-(4-fluorophenyl)-3-[2-(3-fluoro-4-pyrazolo[1,5-a]pyridin-4-yloxyphenyl)acetyl]-4-iodopyridin-2-one
CID 159881236
5-fluoro-3-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
CID 167659973
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
3-bromo-5-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-hydroxypyridin-2-one
CID 163413234
5-bromo-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167621785

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN2Cc3c(Oc4ccc(CC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)ccnc3NC2=O)cc1.
What is the InChIKey of 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?
The InChIKey is JKFIREXEFJYDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F2N4O5/c1-44-25-11-4-21(5-12-25)19-39-20-27-30(14-15-37-32(27)38-34(39)43)45-31-13-6-22(17-28(31)36)18-29(41)26-3-2-16-40(33(26)42)24-9-7-23(35)8-10-24/h2-17H,18-20H2,1H3,(H,37,38,43).
What are the key properties of 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?
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 has a molecular weight of 608.60 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158940792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).