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

C23H27N5O — CID 5330332

IUPAC8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26)
InChIKeyCRHANWDVZFVLRM-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.64
Rot. Bonds4

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

8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330332) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330332
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1C1CCCC1
InChIInChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26)
InChIKeyCRHANWDVZFVLRM-UHFFFAOYSA-N
XLogP4.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 8-cyclopentyl-2-(4-piperidin-1-ylanilino)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

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 5330332) is 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CRHANWDVZFVLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-21-13-8-17-16-24-23(26-22(17)28(21)20-6-2-3-7-20)25-18-9-11-19(12-10-18)27-14-4-1-5-15-27/h8-13,16,20H,1-7,14-15H2,(H,24,25,26).
What are the key properties of 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 389.50 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).