8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one

C26H19F3N4O2 — CID 58105274

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(CCc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)on1
InChIInChI=1S/C26H19F3N4O2/c1-14-12-16(27)6-8-18(14)24-19-9-11-23(34)33(25-20(28)4-3-5-21(25)29)26(19)31-22(30-24)10-7-17-13-15(2)32-35-17/h3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyCZGNISJXJABLFK-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.26
Rot. Bonds5

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58105274) has the molecular formula C26H19F3N4O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID58105274
Molecular FormulaC26H19F3N4O2
Molecular Weight476.46 g/mol
Exact Mass476.15
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(CCc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)on1
InChIInChI=1S/C26H19F3N4O2/c1-14-12-16(27)6-8-18(14)24-19-9-11-23(34)33(25-20(28)4-3-5-21(25)29)26(19)31-22(30-24)10-7-17-13-15(2)32-35-17/h3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyCZGNISJXJABLFK-UHFFFAOYSA-N
XLogP5.26
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide
CID 76656992
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639647
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639543
N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]acetic acid
CID 59639631
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 59639586
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639568
1-[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]-3-methylurea
CID 59639510
N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
CID 59639614
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 69312774
8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639582

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one (CID 58105274) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(CCc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)on1.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CZGNISJXJABLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2/c1-14-12-16(27)6-8-18(14)24-19-9-11-23(34)33(25-20(28)4-3-5-21(25)29)26(19)31-22(30-24)10-7-17-13-15(2)32-35-17/h3-6,8-9,11-13H,7,10H2,1-2H3.
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 476.46 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58105274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).