2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

C36H54N6O3Si — CID 176885892

About 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one

2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 176885892) has the molecular formula C36H54N6O3Si and a molecular weight of 646.95 g/mol. Its IUPAC name is 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 176885892
• Molecular Formula: C36H54N6O3Si
• Molecular Weight: 646.95 g/mol
• Exact Mass: 646.40
• IUPAC Name: 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CCC(CCCO[Si](C)(C)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C36H54N6O3Si/c1-9-44-26(3)32-25(2)30-24-38-35(40-33(30)42(34(32)43)28-14-10-11-15-28)39-31-17-16-29(23-37-31)41-20-18-27(19-21-41)13-12-22-45-46(7,8)36(4,5)6/h16-17,23-24,27-28H,3,9-15,18-22H2,1-2,4-8H3,(H,37,38,39,40)
• InChIKey: FCMGUYPNXCUSIC-UHFFFAOYSA-N
• XLogP: 8.38
• TPSA: 94.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.95
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 176885892) is 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one.

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

The canonical SMILES for 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CCC(CCCO[Si](C)(C)C(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is FCMGUYPNXCUSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54N6O3Si/c1-9-44-26(3)32-25(2)30-24-38-35(40-33(30)42(34(32)43)28-14-10-11-15-28)39-31-17-16-29(23-37-31)41-20-18-27(19-21-41)13-12-22-45-46(7,8)36(4,5)6/h16-17,23-24,27-28H,3,9-15,18-22H2,1-2,4-8H3,(H,37,38,39,40).

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

2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 646.95 g/mol, XLogP of 8.38, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-6-(1-ethoxyethenyl)-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 176885892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).