8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one

C24H38N6O3S — CID 166904557

IUPAC8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C24H38N6O3S/c1-3-28(4-2)14-7-17-34(32,33)29-15-12-20(13-16-29)26-24-25-18-19-10-11-22(31)30(23(19)27-24)21-8-5-6-9-21/h10-11,18,20-21H,3-9,12-17H2,1-2H3,(H,25,26,27)
InChIKeyUYQXNXYJWCTDMP-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.84
Rot. Bonds10

About 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 166904557) has the molecular formula C24H38N6O3S and a molecular weight of 490.67 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID166904557
Molecular FormulaC24H38N6O3S
Molecular Weight490.67 g/mol
Exact Mass490.27
IUPAC Name8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C24H38N6O3S/c1-3-28(4-2)14-7-17-34(32,33)29-15-12-20(13-16-29)26-24-25-18-19-10-11-22(31)30(23(19)27-24)21-8-5-6-9-21/h10-11,18,20-21H,3-9,12-17H2,1-2H3,(H,25,26,27)
InChIKeyUYQXNXYJWCTDMP-UHFFFAOYSA-N
XLogP2.84
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-cyclopentyl-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253050
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
CID 164557559
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
8-cyclopentyl-2-[[1-(3-hydroxyazetidin-1-yl)sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904007
8-cyclopentyl-2-[[1-(oxetan-3-ylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166903959
8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904038
8-cyclopentyl-2-[[1-[(E)-4-methoxybut-1-enyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904028
2-[(1-ethylsulfonylpiperidin-4-yl)amino]-8-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]pyrido[2,3-d]pyrimidin-7-one
CID 134253078
8-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253076
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
8-[(4S,7R)-7-hydroxyspiro[2.4]heptan-4-yl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 170268236
8-[(1S,2S,3S)-3-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253161

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 166904557) is 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UYQXNXYJWCTDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O3S/c1-3-28(4-2)14-7-17-34(32,33)29-15-12-20(13-16-29)26-24-25-18-19-10-11-22(31)30(23(19)27-24)21-8-5-6-9-21/h10-11,18,20-21H,3-9,12-17H2,1-2H3,(H,25,26,27).
What are the key properties of 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 490.67 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[1-[3-(diethylamino)propylsulfonyl]piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166904557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).