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

C19H27N5O4S — CID 134253115

IUPAC8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H27N5O4S/c1-29(27,28)23-8-6-15(7-9-23)21-19-20-11-13-10-14(12-25)18(26)24(17(13)22-19)16-4-2-3-5-16/h10-11,15-16,25H,2-9,12H2,1H3,(H,20,21,22)
InChIKeyJYXQKMTVNRMKPN-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.23
Rot. Bonds5

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

8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134253115) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID134253115
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H27N5O4S/c1-29(27,28)23-8-6-15(7-9-23)21-19-20-11-13-10-14(12-25)18(26)24(17(13)22-19)16-4-2-3-5-16/h10-11,15-16,25H,2-9,12H2,1H3,(H,20,21,22)
InChIKeyJYXQKMTVNRMKPN-UHFFFAOYSA-N
XLogP1.23
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 134253115) is 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)N1CCC(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JYXQKMTVNRMKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-29(27,28)23-8-6-15(7-9-23)21-19-20-11-13-10-14(12-25)18(26)24(17(13)22-19)16-4-2-3-5-16/h10-11,15-16,25H,2-9,12H2,1H3,(H,20,21,22).
What are the key properties of 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 421.52 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(hydroxymethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134253115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).