8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one

C28H38N6O2 — CID 10141231

About 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one

8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10141231) has the molecular formula C28H38N6O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 10141231
• Molecular Formula: C28H38N6O2
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.31
• IUPAC Name: 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(C)cc2cnc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)cc3)nc21
• InChI: InChI=1S/C28H38N6O2/c1-3-34-26-23(19-21(2)27(34)35)20-29-28(31-26)30-24-6-8-25(9-7-24)33-13-10-22(11-14-33)5-4-12-32-15-17-36-18-16-32/h6-9,19-20,22H,3-5,10-18H2,1-2H3,(H,29,30,31)
• InChIKey: SRPLXACXDNOTML-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 75.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 10141231) is 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(C)cc2cnc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)cc3)nc21.

What is the InChIKey of 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SRPLXACXDNOTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2/c1-3-34-26-23(19-21(2)27(34)35)20-29-28(31-26)30-24-6-8-25(9-7-24)33-13-10-22(11-14-33)5-4-12-32-15-17-36-18-16-32/h6-9,19-20,22H,3-5,10-18H2,1-2H3,(H,29,30,31).

What are the key properties of 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one?

8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 490.65 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-6-methyl-2-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10141231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).