8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one

C22H33N5O4S — CID 134247528

IUPAC8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)CC(Nc2ncc3cc(CCO)c(=O)n(C4CCCC4)c3n2)CCN1S(C)(=O)=O
InChIInChI=1S/C22H33N5O4S/c1-22(2)13-17(8-10-26(22)32(3,30)31)24-21-23-14-16-12-15(9-11-28)20(29)27(19(16)25-21)18-6-4-5-7-18/h12,14,17-18,28H,4-11,13H2,1-3H3,(H,23,24,25)
InChIKeyPJNDWVHDRGLRDW-UHFFFAOYSA-N
MW463.60 g/mol
LogP2.06
Rot. Bonds6

About 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134247528) has the molecular formula C22H33N5O4S and a molecular weight of 463.60 g/mol. Its IUPAC name is 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID134247528
Molecular FormulaC22H33N5O4S
Molecular Weight463.60 g/mol
Exact Mass463.23
IUPAC Name8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC1(C)CC(Nc2ncc3cc(CCO)c(=O)n(C4CCCC4)c3n2)CCN1S(C)(=O)=O
InChIInChI=1S/C22H33N5O4S/c1-22(2)13-17(8-10-26(22)32(3,30)31)24-21-23-14-16-12-15(9-11-28)20(29)27(19(16)25-21)18-6-4-5-7-18/h12,14,17-18,28H,4-11,13H2,1-3H3,(H,23,24,25)
InChIKeyPJNDWVHDRGLRDW-UHFFFAOYSA-N
XLogP2.06
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetate
CID 134247619
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289485
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
2-[8-[(1R,2S)-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetonitrile
CID 134257184
6-(methoxymethyl)-8-[(1S,2R)-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253069
8-[(1R,3R)-3-hydroxycyclopentyl]-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253129
6-chloro-8-[(1S,3S)-3-hydroxycyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253128
2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329937
CID 174093131
CID 174093131
8-cyclopentyl-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458593
8-cyclopentyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;1-methylsulfonylpiperidin-4-amine
CID 167674624

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one (CID 134247528) is 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one is CC1(C)CC(Nc2ncc3cc(CCO)c(=O)n(C4CCCC4)c3n2)CCN1S(C)(=O)=O.
What is the InChIKey of 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PJNDWVHDRGLRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4S/c1-22(2)13-17(8-10-26(22)32(3,30)31)24-21-23-14-16-12-15(9-11-28)20(29)27(19(16)25-21)18-6-4-5-7-18/h12,14,17-18,28H,4-11,13H2,1-3H3,(H,23,24,25).
What are the key properties of 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 463.60 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134247528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).