8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

C30H37N5O2 — CID 166451329

IUPAC8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)cc(C#CC2(O)CCCCC2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc21
InChIInChI=1S/C30H37N5O2/c1-2-35-27(36)21-24(11-17-30(37)15-7-4-8-16-30)26-22-32-29(33-28(26)35)34-19-13-25(14-20-34)31-18-12-23-9-5-3-6-10-23/h3,5-6,9-10,21-22,25,31,37H,2,4,7-8,12-16,18-20H2,1H3
InChIKeyOASLKSLEYOBEJX-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.66
Rot. Bonds6

About 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 166451329) has the molecular formula C30H37N5O2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID166451329
Molecular FormulaC30H37N5O2
Molecular Weight499.66 g/mol
Exact Mass499.29
IUPAC Name8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)cc(C#CC2(O)CCCCC2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc21
InChIInChI=1S/C30H37N5O2/c1-2-35-27(36)21-24(11-17-30(37)15-7-4-8-16-30)26-22-32-29(33-28(26)35)34-19-13-25(14-20-34)31-18-12-23-9-5-3-6-10-23/h3,5-6,9-10,21-22,25,31,37H,2,4,7-8,12-16,18-20H2,1H3
InChIKeyOASLKSLEYOBEJX-UHFFFAOYSA-N
XLogP3.66
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]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-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (CID 166451329) is 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)cc(C#CC2(O)CCCCC2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc21.
What is the InChIKey of 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OASLKSLEYOBEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2/c1-2-35-27(36)21-24(11-17-30(37)15-7-4-8-16-30)26-22-32-29(33-28(26)35)34-19-13-25(14-20-34)31-18-12-23-9-5-3-6-10-23/h3,5-6,9-10,21-22,25,31,37H,2,4,7-8,12-16,18-20H2,1H3.
What are the key properties of 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 499.66 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-[2-(1-hydroxycyclohexyl)ethynyl]-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 166451329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).