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

C22H33N5O4S — CID 134247535

IUPAC8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)S(=O)(=O)N1CCC(Nc2ncc3cc(CCO)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H33N5O4S/c1-15(2)32(30,31)26-10-7-18(8-11-26)24-22-23-14-17-13-16(9-12-28)21(29)27(20(17)25-22)19-5-3-4-6-19/h13-15,18-19,28H,3-12H2,1-2H3,(H,23,24,25)
InChIKeyADRRMQQGHYUOCI-UHFFFAOYSA-N
MW463.60 g/mol
LogP2.06
Rot. Bonds7

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

8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134247535) has the molecular formula C22H33N5O4S and a molecular weight of 463.60 g/mol. Its IUPAC name is 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID134247535
Molecular FormulaC22H33N5O4S
Molecular Weight463.60 g/mol
Exact Mass463.23
IUPAC Name8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)S(=O)(=O)N1CCC(Nc2ncc3cc(CCO)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H33N5O4S/c1-15(2)32(30,31)26-10-7-18(8-11-26)24-22-23-14-17-13-16(9-12-28)21(29)27(20(17)25-22)19-5-3-4-6-19/h13-15,18-19,28H,3-12H2,1-2H3,(H,23,24,25)
InChIKeyADRRMQQGHYUOCI-UHFFFAOYSA-N
XLogP2.06
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 134247535) is 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CC(C)S(=O)(=O)N1CCC(Nc2ncc3cc(CCO)c(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ADRRMQQGHYUOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4S/c1-15(2)32(30,31)26-10-7-18(8-11-26)24-22-23-14-17-13-16(9-12-28)21(29)27(20(17)25-22)19-5-3-4-6-19/h13-15,18-19,28H,3-12H2,1-2H3,(H,23,24,25).
What are the key properties of 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 463.60 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(2-hydroxyethyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134247535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).