7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H19F2N5O5S — CID 43059572

IUPAC7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nc2n(C)c1=O
InChIInChI=1S/C20H19F2N5O5S/c1-24-17-12(18(28)25(2)20(24)30)6-7-15(23-17)19(29)26-8-10-27(11-9-26)33(31,32)16-13(21)4-3-5-14(16)22/h3-7H,8-11H2,1-2H3
InChIKeyWANFKMHNZMGWNP-UHFFFAOYSA-N
MW479.47 g/mol
LogP0.06
Rot. Bonds3

About 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 43059572) has the molecular formula C20H19F2N5O5S and a molecular weight of 479.47 g/mol. Its IUPAC name is 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID43059572
Molecular FormulaC20H19F2N5O5S
Molecular Weight479.47 g/mol
Exact Mass479.11
IUPAC Name7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nc2n(C)c1=O
InChIInChI=1S/C20H19F2N5O5S/c1-24-17-12(18(28)25(2)20(24)30)6-7-15(23-17)19(29)26-8-10-27(11-9-26)33(31,32)16-13(21)4-3-5-14(16)22/h3-7H,8-11H2,1-2H3
InChIKeyWANFKMHNZMGWNP-UHFFFAOYSA-N
XLogP0.06
TPSA114.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 30854687
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 55919694
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 9094624
1,3-dimethyl-7-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 30823849
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 34518015
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-yn-1-one
CID 154704989
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 17483441
6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 166185922
(3-chloro-4,5-dimethoxyphenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38565027
1,3-dimethyl-7-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 55636682
(3-bromo-5-fluorophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55704253

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 43059572) is 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nc2n(C)c1=O.
What is the InChIKey of 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WANFKMHNZMGWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O5S/c1-24-17-12(18(28)25(2)20(24)30)6-7-15(23-17)19(29)26-8-10-27(11-9-26)33(31,32)16-13(21)4-3-5-14(16)22/h3-7H,8-11H2,1-2H3.
What are the key properties of 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 479.47 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 43059572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).