7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H21FN4O4S — CID 95834530

IUPAC7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)nc2n(C)c1=O
InChIInChI=1S/C20H21FN4O4S/c1-23-18-15(19(26)24(2)20(23)27)10-11-16(22-18)17-5-3-4-12-25(17)30(28,29)14-8-6-13(21)7-9-14/h6-11,17H,3-5,12H2,1-2H3/t17-/m0/s1
InChIKeyNPCZEKIZEPXEDV-KRWDZBQOSA-N
MW432.48 g/mol
LogP1.69
Rot. Bonds3

About 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 95834530) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID95834530
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC Name7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)nc2n(C)c1=O
InChIInChI=1S/C20H21FN4O4S/c1-23-18-15(19(26)24(2)20(23)27)10-11-16(22-18)17-5-3-4-12-25(17)30(28,29)14-8-6-13(21)7-9-14/h6-11,17H,3-5,12H2,1-2H3/t17-/m0/s1
InChIKeyNPCZEKIZEPXEDV-KRWDZBQOSA-N
XLogP1.69
TPSA94.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 95834530) is 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)nc2n(C)c1=O.
What is the InChIKey of 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NPCZEKIZEPXEDV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-23-18-15(19(26)24(2)20(23)27)10-11-16(22-18)17-5-3-4-12-25(17)30(28,29)14-8-6-13(21)7-9-14/h6-11,17H,3-5,12H2,1-2H3/t17-/m0/s1.
What are the key properties of 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 432.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95834530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).