4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C21H15F2N3OS — CID 10272017

IUPAC4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C21H15F2N3OS/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)28-2/h3-11H,1-2H3
InChIKeyTWNNMEHQLLCMQP-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.76
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10272017) has the molecular formula C21H15F2N3OS and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10272017
Molecular FormulaC21H15F2N3OS
Molecular Weight395.43 g/mol
Exact Mass395.09
IUPAC Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C21H15F2N3OS/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)28-2/h3-11H,1-2H3
InChIKeyTWNNMEHQLLCMQP-UHFFFAOYSA-N
XLogP4.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-2-methylphenyl)-2-methylsulfanyl-8-(2,3,4-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 69251800
2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 67134885
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 59639560
8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 143601346
8-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10291745
4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 143308871
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639647
4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639602
4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 69374353
N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 59789333
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
CID 141065177

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 10272017) is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3ccccc3F)c2n1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TWNNMEHQLLCMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)28-2/h3-11H,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 395.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10272017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).