4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine

C20H13F4N3O2S — CID 141076952

IUPAC4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine
SMILESCS(=O)(=O)c1nc(-c2ccc(F)cc2F)c2c(n1)N(c1ccc(F)cc1F)CC=C2
InChIInChI=1S/C20H13F4N3O2S/c1-30(28,29)20-25-18(13-6-4-11(21)9-15(13)23)14-3-2-8-27(19(14)26-20)17-7-5-12(22)10-16(17)24/h2-7,9-10H,8H2,1H3
InChIKeyQMECMGDDKJWNMA-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.27
Rot. Bonds3

About 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine

4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine (PubChem CID 141076952) has the molecular formula C20H13F4N3O2S and a molecular weight of 435.40 g/mol. Its IUPAC name is 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine
PubChem CID141076952
Molecular FormulaC20H13F4N3O2S
Molecular Weight435.40 g/mol
Exact Mass435.07
IUPAC Name4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine
SMILESCS(=O)(=O)c1nc(-c2ccc(F)cc2F)c2c(n1)N(c1ccc(F)cc1F)CC=C2
InChIInChI=1S/C20H13F4N3O2S/c1-30(28,29)20-25-18(13-6-4-11(21)9-15(13)23)14-3-2-8-27(19(14)26-20)17-7-5-12(22)10-16(17)24/h2-7,9-10H,8H2,1H3
InChIKeyQMECMGDDKJWNMA-UHFFFAOYSA-N
XLogP4.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
CID 141065177
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine
CID 141065203
2-(2,4-difluorophenyl)-3-iodo-5H-pyrrolo[1,2-a]imidazole
CID 71034720
2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 158252374
4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 143308871
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
1-(2,4-difluorophenyl)-3-(2-fluoro-4-methylphenyl)pyrazole-4-carbaldehyde;2,4,6-trichloro-1,3,5-triazine
CID 159210683
1-[5-amino-6-(2,4-difluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]ethanone
CID 170711840
4-(cyclopropylamino)-6-(4-fluoro-2-methylphenyl)-2-methylsulfonylpyrimidine-5-carbaldehyde
CID 155664527
3-(2,4-difluorophenyl)-1-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrazole-4-carboxamide
CID 86963401
2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62219892
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine (CID 141076952) is 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine is CS(=O)(=O)c1nc(-c2ccc(F)cc2F)c2c(n1)N(c1ccc(F)cc1F)CC=C2.
What is the InChIKey of 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine?
The InChIKey is QMECMGDDKJWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3O2S/c1-30(28,29)20-25-18(13-6-4-11(21)9-15(13)23)14-3-2-8-27(19(14)26-20)17-7-5-12(22)10-16(17)24/h2-7,9-10H,8H2,1H3.
What are the key properties of 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine?
4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine has a molecular weight of 435.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(2,4-difluorophenyl)-2-methylsulfonyl-7H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 141076952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).