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

C19H27N5O5S2 — CID 134247547

IUPAC8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H27N5O5S2/c1-30(26,27)13-31(28,29)23-10-8-15(9-11-23)21-19-20-12-14-6-7-17(25)24(18(14)22-19)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,13H2,1H3,(H,20,21,22)
InChIKeyZBJPNNCODVAXRF-UHFFFAOYSA-N
MW469.59 g/mol
LogP1.11
Rot. Bonds6

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

8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134247547) has the molecular formula C19H27N5O5S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID134247547
Molecular FormulaC19H27N5O5S2
Molecular Weight469.59 g/mol
Exact Mass469.15
IUPAC Name8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1
InChIInChI=1S/C19H27N5O5S2/c1-30(26,27)13-31(28,29)23-10-8-15(9-11-23)21-19-20-12-14-6-7-17(25)24(18(14)22-19)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,13H2,1H3,(H,20,21,22)
InChIKeyZBJPNNCODVAXRF-UHFFFAOYSA-N
XLogP1.11
TPSA131.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 134247547) is 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)CC1.
What is the InChIKey of 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZBJPNNCODVAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5S2/c1-30(26,27)13-31(28,29)23-10-8-15(9-11-23)21-19-20-12-14-6-7-17(25)24(18(14)22-19)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,13H2,1H3,(H,20,21,22).
What are the key properties of 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 469.59 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[1-(methylsulfonylmethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134247547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).