4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride

C17H22ClN5O3S — CID 164557559

IUPAC4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)Cl)CC3)nc2n1C1CCCC1
InChIInChI=1S/C17H22ClN5O3S/c18-27(25,26)22-9-7-13(8-10-22)20-17-19-11-12-5-6-15(24)23(16(12)21-17)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10H2,(H,19,20,21)
InChIKeyTUURVTQMYJNQKF-UHFFFAOYSA-N
MW411.92 g/mol
LogP2.27
Rot. Bonds4

About 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride

4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride (PubChem CID 164557559) has the molecular formula C17H22ClN5O3S and a molecular weight of 411.92 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
PubChem CID164557559
Molecular FormulaC17H22ClN5O3S
Molecular Weight411.92 g/mol
Exact Mass411.11
IUPAC Name4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)Cl)CC3)nc2n1C1CCCC1
InChIInChI=1S/C17H22ClN5O3S/c18-27(25,26)22-9-7-13(8-10-22)20-17-19-11-12-5-6-15(24)23(16(12)21-17)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10H2,(H,19,20,21)
InChIKeyTUURVTQMYJNQKF-UHFFFAOYSA-N
XLogP2.27
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.92
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride?
The IUPAC name of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride (CID 164557559) is 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride.
What is the SMILES notation for 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride?
The canonical SMILES for 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride is O=c1ccc2cnc(NC3CCN(S(=O)(=O)Cl)CC3)nc2n1C1CCCC1.
What is the InChIKey of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride?
The InChIKey is TUURVTQMYJNQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O3S/c18-27(25,26)22-9-7-13(8-10-22)20-17-19-11-12-5-6-15(24)23(16(12)21-17)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10H2,(H,19,20,21).
What are the key properties of 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride?
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride has a molecular weight of 411.92 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride is sourced from PubChem (CID 164557559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).