N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide

C20H14F2N4O3S — CID 10159626

IUPACN-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C20H14F2N4O3S/c1-30(28,29)25-20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(27)26(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3,(H,23,24,25)
InChIKeyPIXSXJAJAKJUEB-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.10
Rot. Bonds4

About N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide

N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide (PubChem CID 10159626) has the molecular formula C20H14F2N4O3S and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide
PubChem CID10159626
Molecular FormulaC20H14F2N4O3S
Molecular Weight428.42 g/mol
Exact Mass428.08
IUPAC NameN-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C20H14F2N4O3S/c1-30(28,29)25-20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(27)26(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3,(H,23,24,25)
InChIKeyPIXSXJAJAKJUEB-UHFFFAOYSA-N
XLogP3.10
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156297
2-(2-aminoethylamino)-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 59789333
4-(2,4-difluorophenyl)-2-[dihydroxy(methyl)-λ4-sulfanyl]-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 143308871
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10272017
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-[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
N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639543
4-(2-chloro-4-fluorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 10367725
2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]acetic acid
CID 59639631

Frequently Asked Questions

What is the IUPAC name of N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide (CID 10159626) is N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1.
What is the InChIKey of N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide?
The InChIKey is PIXSXJAJAKJUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O3S/c1-30(28,29)25-20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(27)26(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3,(H,23,24,25).
What are the key properties of N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide?
N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide has a molecular weight of 428.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 10159626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).