N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide

C56H64BBrN8O4 — CID 158645509

About N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide

N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide (PubChem CID 158645509) has the molecular formula C56H64BBrN8O4 and a molecular weight of 1003.90 g/mol. Its IUPAC name is N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
• PubChem CID: 158645509
• Molecular Formula: C56H64BBrN8O4
• Molecular Weight: 1003.90 g/mol
• Exact Mass: 1002.43
• IUPAC Name: N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
• SMILES: Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(N)c2nccn2c1.Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Br)cn2ccnc12
• InChI: InChI=1S/C25H26N4O.C24H32BNO3.C7H6BrN3/c1-16-20(18-14-21(26)23-27-12-13-29(23)15-18)6-5-7-22(16)28-24(30)17-8-10-19(11-9-17)25(2,3)4;1-16-19(25-28-23(5,6)24(7,8)29-25)10-9-11-20(16)26-21(27)17-12-14-18(15-13-17)22(2,3)4;8-5-3-6(9)7-10-1-2-11(7)4-5/h5-15H,26H2,1-4H3,(H,28,30);9-15H,1-8H3,(H,26,27);1-4H,9H2
• InChIKey: IAXJSNZLFHPZRO-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 163.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.90
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide?

The IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide (CID 158645509) is N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide.

What is the SMILES notation for N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide?

The canonical SMILES for N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(N)c2nccn2c1.Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1.Nc1cc(Br)cn2ccnc12.

What is the InChIKey of N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide?

The InChIKey is IAXJSNZLFHPZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O.C24H32BNO3.C7H6BrN3/c1-16-20(18-14-21(26)23-27-12-13-29(23)15-18)6-5-7-22(16)28-24(30)17-8-10-19(11-9-17)25(2,3)4;1-16-19(25-28-23(5,6)24(7,8)29-25)10-9-11-20(16)26-21(27)17-12-14-18(15-13-17)22(2,3)4;8-5-3-6(9)7-10-1-2-11(7)4-5/h5-15H,26H2,1-4H3,(H,28,30);9-15H,1-8H3,(H,26,27);1-4H,9H2.

What are the key properties of N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide?

N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide has a molecular weight of 1003.90 g/mol, XLogP of 11.96, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(8-aminoimidazo[1,2-a]pyridin-6-yl)-2-methylphenyl]-4-tert-butylbenzamide;6-bromoimidazo[1,2-a]pyridin-8-amine;4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide is sourced from PubChem (CID 158645509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).