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

C20H29N5O3S — CID 134253053

IUPAC8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)CC1
InChIInChI=1S/C20H29N5O3S/c1-29(27,28)24-12-10-16(11-13-24)22-20-21-14-15-8-9-18(26)25(19(15)23-20)17-6-4-2-3-5-7-17/h8-9,14,16-17H,2-7,10-13H2,1H3,(H,21,22,23)
InChIKeyNIVRVOZNYYXNJT-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.52
Rot. Bonds4

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

8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134253053) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID134253053
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)CC1
InChIInChI=1S/C20H29N5O3S/c1-29(27,28)24-12-10-16(11-13-24)22-20-21-14-15-8-9-18(26)25(19(15)23-20)17-6-4-2-3-5-7-17/h8-9,14,16-17H,2-7,10-13H2,1H3,(H,21,22,23)
InChIKeyNIVRVOZNYYXNJT-UHFFFAOYSA-N
XLogP2.52
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{trans-4-[(8-Cyclopentyl-7-Oxo-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl)amino]cyclohexyl}-3-Propan-2-Ylurea
CID 91754589
1-(Trans-4-{[7-Oxo-8-(Propan-2-Yl)-7,8-Dihydropyrido[2,3-D]pyrimidin-2-Yl]amino}cyclohexyl)-3-Propan-2-Ylurea
CID 91754590
US10233188, Example 1
CID 134247531
8-((1R,2R)-2-Hydroxy-2-methylcyclopentyl)-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 134247559
US10233188, Example 21
CID 134247563
US10233188, Example 135
CID 134247622
US10233188, Example 22
CID 134253054
US10233188, Example 29
CID 134253056
US10233188, Example 36
CID 134253062
US10233188, Example 92
CID 134253093
US10233188, Example 143
CID 134253115
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15
CID 5330201

Frequently Asked Questions

What is the IUPAC name of 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 134253053) is 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)CC1.
What is the InChIKey of 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NIVRVOZNYYXNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-29(27,28)24-12-10-16(11-13-24)22-20-21-14-15-8-9-18(26)25(19(15)23-20)17-6-4-2-3-5-7-17/h8-9,14,16-17H,2-7,10-13H2,1H3,(H,21,22,23).
What are the key properties of 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 419.55 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cycloheptyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134253053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).