N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane

C40H55BrClN3O5 — CID 142176506

About N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane

N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane (PubChem CID 142176506) has the molecular formula C40H55BrClN3O5 and a molecular weight of 773.25 g/mol. Its IUPAC name is N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane.

Molecular Properties

• Compound Name: N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane
• PubChem CID: 142176506
• Molecular Formula: C40H55BrClN3O5
• Molecular Weight: 773.25 g/mol
• Exact Mass: 771.30
• IUPAC Name: N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane
• SMILES: CCCOCCC(C)C.CCCOc1c(OC)ccc(C(=O)N(CCC(C)C)Cc2nc3ccccn3c2Cc2cc(Br)ccc2OC)c1Cl
• InChI: InChI=1S/C32H37BrClN3O4.C8H18O/c1-6-17-41-31-28(40-5)13-11-24(30(31)34)32(38)36(16-14-21(2)3)20-25-26(37-15-8-7-9-29(37)35-25)19-22-18-23(33)10-12-27(22)39-4;1-4-6-9-7-5-8(2)3/h7-13,15,18,21H,6,14,16-17,19-20H2,1-5H3;8H,4-7H2,1-3H3
• InChIKey: TUUWZATVZUPPDB-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 74.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.25
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane?

The IUPAC name of N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane (CID 142176506) is N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane.

What is the SMILES notation for N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane?

The canonical SMILES for N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane is CCCOCCC(C)C.CCCOc1c(OC)ccc(C(=O)N(CCC(C)C)Cc2nc3ccccn3c2Cc2cc(Br)ccc2OC)c1Cl.

What is the InChIKey of N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane?

The InChIKey is TUUWZATVZUPPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37BrClN3O4.C8H18O/c1-6-17-41-31-28(40-5)13-11-24(30(31)34)32(38)36(16-14-21(2)3)20-25-26(37-15-8-7-9-29(37)35-25)19-22-18-23(33)10-12-27(22)39-4;1-4-6-9-7-5-8(2)3/h7-13,15,18,21H,6,14,16-17,19-20H2,1-5H3;8H,4-7H2,1-3H3.

What are the key properties of N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane?

N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane has a molecular weight of 773.25 g/mol, XLogP of 10.29, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2-chloro-4-methoxy-N-(3-methylbutyl)-3-propoxybenzamide;3-methyl-1-propoxybutane is sourced from PubChem (CID 142176506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).