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

C20H27N5O3S — CID 134247570

IUPAC8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C20H27N5O3S/c1-3-14-12-15-13-21-20(22-16-8-10-24(11-9-16)29(2,27)28)23-18(15)25(19(14)26)17-6-4-5-7-17/h3,12-13,16-17H,1,4-11H2,2H3,(H,21,22,23)
InChIKeyZEZMZENKLQYYQO-UHFFFAOYSA-N
MW417.54 g/mol
LogP2.39
Rot. Bonds5

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

8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134247570) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID134247570
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESC=Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C20H27N5O3S/c1-3-14-12-15-13-21-20(22-16-8-10-24(11-9-16)29(2,27)28)23-18(15)25(19(14)26)17-6-4-5-7-17/h3,12-13,16-17H,1,4-11H2,2H3,(H,21,22,23)
InChIKeyZEZMZENKLQYYQO-UHFFFAOYSA-N
XLogP2.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 134247570) is 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is C=Cc1cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZEZMZENKLQYYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-3-14-12-15-13-21-20(22-16-8-10-24(11-9-16)29(2,27)28)23-18(15)25(19(14)26)17-6-4-5-7-17/h3,12-13,16-17H,1,4-11H2,2H3,(H,21,22,23).
What are the key properties of 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 417.54 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-ethenyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134247570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).