6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

C41H42FN7O5 — CID 143720305

About 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 143720305) has the molecular formula C41H42FN7O5 and a molecular weight of 731.83 g/mol. Its IUPAC name is 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 143720305
• Molecular Formula: C41H42FN7O5
• Molecular Weight: 731.83 g/mol
• Exact Mass: 731.32
• IUPAC Name: 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1cnc2c(c1)c(=O)n(C1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)c(=O)n2-c1cccc(-c2ccc(OCCCN3CCOCC3)cc2)c1
• InChI: InChI=1S/C41H42FN7O5/c1-27-22-35-38(43-24-27)48(33-5-2-4-29(23-33)28-6-13-34(14-7-28)54-19-3-16-46-17-20-53-21-18-46)41(52)49(40(35)51)32-11-9-31(10-12-32)44-39(50)36-26-47-25-30(42)8-15-37(47)45-36/h2,4-8,13-15,22-26,31-32H,3,9-12,16-21H2,1H3,(H,44,50)
• InChIKey: YNIDSOXYWANHNL-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 124.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	731.83
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 143720305) is 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cnc2c(c1)c(=O)n(C1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)c(=O)n2-c1cccc(-c2ccc(OCCCN3CCOCC3)cc2)c1.

What is the InChIKey of 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is YNIDSOXYWANHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42FN7O5/c1-27-22-35-38(43-24-27)48(33-5-2-4-29(23-33)28-6-13-34(14-7-28)54-19-3-16-46-17-20-53-21-18-46)41(52)49(40(35)51)32-11-9-31(10-12-32)44-39(50)36-26-47-25-30(42)8-15-37(47)45-36/h2,4-8,13-15,22-26,31-32H,3,9-12,16-21H2,1H3,(H,44,50).

What are the key properties of 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 731.83 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[4-[6-methyl-1-[3-[4-(3-morpholin-4-ylpropoxy)phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 143720305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).