N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide

C20H13F3N4O2S — CID 142156297

IUPACN-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
SMILESCS(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C20H13F3N4O2S/c1-30(29)26-20-24-17(11-5-2-3-6-13(11)21)12-9-10-16(28)27(19(12)25-20)18-14(22)7-4-8-15(18)23/h2-10H,1H3,(H,24,25,26)
InChIKeySWSNAZXYYBORRO-UHFFFAOYSA-N
MW430.41 g/mol
LogP3.57
Rot. Bonds4

About N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide

N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide (PubChem CID 142156297) has the molecular formula C20H13F3N4O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
PubChem CID142156297
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.41 g/mol
Exact Mass430.07
IUPAC NameN-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
SMILESCS(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C20H13F3N4O2S/c1-30(29)26-20-24-17(11-5-2-3-6-13(11)21)12-9-10-16(28)27(19(12)25-20)18-14(22)7-4-8-15(18)23/h2-10H,1H3,(H,24,25,26)
InChIKeySWSNAZXYYBORRO-UHFFFAOYSA-N
XLogP3.57
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
N-[4,8-bis(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfonamide
CID 10159626
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
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-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 69312774
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)-2,4-dimethylpyrido[2,3-d]pyrimidin-7-one
CID 143303109
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
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
2-[8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-7-oxopyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
CID 172803202

Frequently Asked Questions

What is the IUPAC name of N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide?
The IUPAC name of N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide (CID 142156297) is N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide.
What is the SMILES notation for N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide?
The canonical SMILES for N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide is CS(=O)Nc1nc(-c2ccccc2F)c2ccc(=O)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide?
The InChIKey is SWSNAZXYYBORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S/c1-30(29)26-20-24-17(11-5-2-3-6-13(11)21)12-9-10-16(28)27(19(12)25-20)18-14(22)7-4-8-15(18)23/h2-10H,1H3,(H,24,25,26).
What are the key properties of N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide?
N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide has a molecular weight of 430.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2,6-difluorophenyl)-4-(2-fluorophenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide is sourced from PubChem (CID 142156297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).