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

C19H27N5O3S — CID 134253051

IUPAC8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H27N5O3S/c1-2-28(26,27)23-11-9-15(10-12-23)21-19-20-13-14-7-8-17(25)24(18(14)22-19)16-5-3-4-6-16/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,20,21,22)
InChIKeyRCOWWHMFBKCUJC-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.13
Rot. Bonds5

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

8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134253051) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID134253051
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H27N5O3S/c1-2-28(26,27)23-11-9-15(10-12-23)21-19-20-13-14-7-8-17(25)24(18(14)22-19)16-5-3-4-6-16/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,20,21,22)
InChIKeyRCOWWHMFBKCUJC-UHFFFAOYSA-N
XLogP2.13
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 134253051) is 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RCOWWHMFBKCUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-2-28(26,27)23-11-9-15(10-12-23)21-19-20-13-14-7-8-17(25)24(18(14)22-19)16-5-3-4-6-16/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,20,21,22).
What are the key properties of 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 405.52 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134253051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).