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

C39H39F2N7O4 — CID 24856963

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

6-fluoro-N-[4-[6-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 24856963) has the molecular formula C39H39F2N7O4 and a molecular weight of 707.78 g/mol. Its IUPAC name is 6-fluoro-N-[4-[6-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]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-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 24856963
• Molecular Formula: C39H39F2N7O4
• Molecular Weight: 707.78 g/mol
• Exact Mass: 707.30
• IUPAC Name: 6-fluoro-N-[4-[6-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CCCNCCCO)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1
• InChI: InChI=1S/C39H39F2N7O4/c40-28-11-16-35-45-34(24-46(35)23-28)37(50)44-30-12-14-31(15-13-30)48-38(51)33-21-29(41)22-43-36(33)47(39(48)52)32-6-1-5-27(20-32)26-9-7-25(8-10-26)4-2-17-42-18-3-19-49/h1,5-11,16,20-24,30-31,42,49H,2-4,12-15,17-19H2,(H,44,50)
• InChIKey: LZPSMTLDVOYVRX-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 135.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	707.78
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]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-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 24856963) is 6-fluoro-N-[4-[6-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]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-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]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-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CCCNCCCO)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1.

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

The InChIKey is LZPSMTLDVOYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39F2N7O4/c40-28-11-16-35-45-34(24-46(35)23-28)37(50)44-30-12-14-31(15-13-30)48-38(51)33-21-29(41)22-43-36(33)47(39(48)52)32-6-1-5-27(20-32)26-9-7-25(8-10-26)4-2-17-42-18-3-19-49/h1,5-11,16,20-24,30-31,42,49H,2-4,12-15,17-19H2,(H,44,50).

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

6-fluoro-N-[4-[6-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 707.78 g/mol, XLogP of 4.96, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[4-[6-fluoro-1-[3-[4-[3-(3-hydroxypropylamino)propyl]phenyl]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 24856963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).