8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

C28H36N6O3 — CID 10289177

About 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10289177) has the molecular formula C28H36N6O3 and a molecular weight of 504.64 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 10289177
• Molecular Formula: C28H36N6O3
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.28
• IUPAC Name: 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CC(C)OC(C)C4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C28H36N6O3/c1-6-36-20(5)25-19(4)23-14-30-28(32-26(23)34(27(25)35)21-9-7-8-10-21)31-24-12-11-22(13-29-24)33-15-17(2)37-18(3)16-33/h11-14,17-18,21H,5-10,15-16H2,1-4H3,(H,29,30,31,32)
• InChIKey: DHBOSQDNEFMAIS-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 10289177) is 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CC(C)OC(C)C4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is DHBOSQDNEFMAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3/c1-6-36-20(5)25-19(4)23-14-30-28(32-26(23)34(27(25)35)21-9-7-8-10-21)31-24-12-11-22(13-29-24)33-15-17(2)37-18(3)16-33/h11-14,17-18,21H,5-10,15-16H2,1-4H3,(H,29,30,31,32).

What are the key properties of 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 504.64 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-2-[[5-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]amino]-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10289177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).