N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

C37H41FN6O4 — CID 70239918

About N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide

N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 70239918) has the molecular formula C37H41FN6O4 and a molecular weight of 652.77 g/mol. Its IUPAC name is N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 70239918
• Molecular Formula: C37H41FN6O4
• Molecular Weight: 652.77 g/mol
• Exact Mass: 652.32
• IUPAC Name: N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CC1=CC=CC2=NC(C(=O)NC3CCC(NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(CN(C)CCO)cc5)c4)CC3)CN12
• InChI: InChI=1S/C37H41FN6O4/c1-24-5-3-8-34-42-33(23-44(24)34)36(47)41-30-15-13-29(14-16-30)40-35(46)32-20-28(38)21-39-37(32)48-31-7-4-6-27(19-31)26-11-9-25(10-12-26)22-43(2)17-18-45/h3-12,19-21,29-30,33,45H,13-18,22-23H2,1-2H3,(H,40,46)(H,41,47)
• InChIKey: TYQBOAROIIKHPR-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 119.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.77
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide (CID 70239918) is N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is CC1=CC=CC2=NC(C(=O)NC3CCC(NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(CN(C)CCO)cc5)c4)CC3)CN12.

What is the InChIKey of N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is TYQBOAROIIKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41FN6O4/c1-24-5-3-8-34-42-33(23-44(24)34)36(47)41-30-15-13-29(14-16-30)40-35(46)32-20-28(38)21-39-37(32)48-31-7-4-6-27(19-31)26-11-9-25(10-12-26)22-43(2)17-18-45/h3-12,19-21,29-30,33,45H,13-18,22-23H2,1-2H3,(H,40,46)(H,41,47).

What are the key properties of N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide?

N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 652.77 g/mol, XLogP of 4.82, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-fluoro-2-[3-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-2,3-dihydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 70239918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).