8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C25H33N7O2 — CID 5330273

IUPAC8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H33N7O2/c1-2-34-14-9-18-15-19-16-28-25(30-23(19)32(24(18)33)20-5-3-4-6-20)29-22-8-7-21(17-27-22)31-12-10-26-11-13-31/h7-8,15-17,20,26H,2-6,9-14H2,1H3,(H,27,28,29,30)
InChIKeyIXNAAXCEGIMPJY-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.03
Rot. Bonds8

About 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330273) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330273
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCOCCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C25H33N7O2/c1-2-34-14-9-18-15-19-16-28-25(30-23(19)32(24(18)33)20-5-3-4-6-20)29-22-8-7-21(17-27-22)31-12-10-26-11-13-31/h7-8,15-17,20,26H,2-6,9-14H2,1H3,(H,27,28,29,30)
InChIKeyIXNAAXCEGIMPJY-UHFFFAOYSA-N
XLogP3.03
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)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

Palbociclib
CID 5330286
Narazaciclib
CID 56649281
Dalpiciclib
CID 86279927
Palbociclib hydrochloride
CID 11431660
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68
CID 5330254
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
6-bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330264

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330273) is 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is CCOCCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IXNAAXCEGIMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-2-34-14-9-18-15-19-16-28-25(30-23(19)32(24(18)33)20-5-3-4-6-20)29-22-8-7-21(17-27-22)31-12-10-26-11-13-31/h7-8,15-17,20,26H,2-6,9-14H2,1H3,(H,27,28,29,30).
What are the key properties of 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 463.59 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(2-ethoxyethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).