4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one

C20H14F3N3O3S — CID 143308871

IUPAC4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCS(O)(O)c1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C20H14F3N3O3S/c1-30(28,29)20-24-18(12-7-6-11(21)10-15(12)23)13-8-9-17(27)26(19(13)25-20)16-5-3-2-4-14(16)22/h2-10,28-29H,1H3
InChIKeyADMXHUPCLGLAGS-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.60
Rot. Bonds3

About 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one

4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 143308871) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID143308871
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCS(O)(O)c1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C20H14F3N3O3S/c1-30(28,29)20-24-18(12-7-6-11(21)10-15(12)23)13-8-9-17(27)26(19(13)25-20)16-5-3-2-4-14(16)22/h2-10,28-29H,1H3
InChIKeyADMXHUPCLGLAGS-UHFFFAOYSA-N
XLogP4.60
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10272017
N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide
CID 10159626
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
4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(hydroxymethyl)amino]-8-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 69374353
4-(2-chloro-4-fluorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 10367725
4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639602
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639647
2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]acetic acid
CID 59639631
8-(2,4-difluorophenyl)-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 143601346
N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
CID 59639614

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one (CID 143308871) is 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one is CS(O)(O)c1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ADMXHUPCLGLAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c1-30(28,29)20-24-18(12-7-6-11(21)10-15(12)23)13-8-9-17(27)26(19(13)25-20)16-5-3-2-4-14(16)22/h2-10,28-29H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 433.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143308871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).