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

C27H35N7O2 — CID 90280914

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

8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90280914) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 90280914
• Molecular Formula: C27H35N7O2
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.29
• IUPAC Name: 8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCOC=Cc1c(C)c2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C27H35N7O2/c1-4-36-16-11-22-19(2)23-18-29-27(31-25(23)34(26(22)35)20-7-5-6-8-20)30-24-10-9-21(17-28-24)33-14-12-32(3)13-15-33/h9-11,16-18,20H,4-8,12-15H2,1-3H3,(H,28,29,30,31)
• InChIKey: MBURWNIGSOKHBP-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 88.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	4.11
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-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 90280914) is 8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is CCOC=Cc1c(C)c2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is MBURWNIGSOKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-4-36-16-11-22-19(2)23-18-29-27(31-25(23)34(26(22)35)20-7-5-6-8-20)30-24-10-9-21(17-28-24)33-14-12-32(3)13-15-33/h9-11,16-18,20H,4-8,12-15H2,1-3H3,(H,28,29,30,31).

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

8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 489.62 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-6-(2-ethoxyethenyl)-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90280914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).