3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C96H113BrF5N17O5 — CID 160734584

About 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 160734584) has the molecular formula C96H113BrF5N17O5 and a molecular weight of 1759.97 g/mol. Its IUPAC name is 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 160734584
• Molecular Formula: C96H113BrF5N17O5
• Molecular Weight: 1759.97 g/mol
• Exact Mass: 1757.82
• IUPAC Name: 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1Br.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCc3ccccc3)c2)nc2cccnc21
• InChI: InChI=1S/C31H39N5O2.C24H27F3N4O.C21H25BrN4O.C20H22F2N4O/c1-4-18-36-29(34-28-14-9-16-33-30(28)36)23-35(19-15-24(2)3)31(37)26-12-8-13-27(21-26)38-20-17-32-22-25-10-6-5-7-11-25;1-2-3-6-14-30(24(32)21-17(25)11-12-18(26)22(21)27)15-20-29-19-10-7-13-28-23(19)31(20)16-8-4-5-9-16;1-3-5-14-25(21(27)16-9-6-7-10-17(16)22)15-19-24-18-11-8-12-23-20(18)26(19)13-4-2;1-3-10-25(20(27)14-7-8-15(21)16(22)12-14)13-18-24-17-6-5-9-23-19(17)26(18)11-4-2/h5-14,16,21,24,32H,4,15,17-20,22-23H2,1-3H3;7,10-13,16H,2-6,8-9,14-15H2,1H3;6-12H,3-5,13-15H2,1-2H3;5-9,12H,3-4,10-11,13H2,1-2H3
• InChIKey: RUUAIYQUOVDJRW-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 225.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1759.97
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 160734584) is 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1Br.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(F)c(F)c1.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCc3ccccc3)c2)nc2cccnc21.

What is the InChIKey of 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is RUUAIYQUOVDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O2.C24H27F3N4O.C21H25BrN4O.C20H22F2N4O/c1-4-18-36-29(34-28-14-9-16-33-30(28)36)23-35(19-15-24(2)3)31(37)26-12-8-13-27(21-26)38-20-17-32-22-25-10-6-5-7-11-25;1-2-3-6-14-30(24(32)21-17(25)11-12-18(26)22(21)27)15-20-29-19-10-7-13-28-23(19)31(20)16-8-4-5-9-16;1-3-5-14-25(21(27)16-9-6-7-10-17(16)22)15-19-24-18-11-8-12-23-20(18)26(19)13-4-2;1-3-10-25(20(27)14-7-8-15(21)16(22)12-14)13-18-24-17-6-5-9-23-19(17)26(18)11-4-2/h5-14,16,21,24,32H,4,15,17-20,22-23H2,1-3H3;7,10-13,16H,2-6,8-9,14-15H2,1H3;6-12H,3-5,13-15H2,1-2H3;5-9,12H,3-4,10-11,13H2,1-2H3.

What are the key properties of 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1759.97 g/mol, XLogP of 20.71, 37 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(benzylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3,6-trifluoro-N-pentylbenzamide;3,4-difluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 160734584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).