3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C111H130Br2ClF4IN20O6 — CID 159101025

About 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 159101025) has the molecular formula C111H130Br2ClF4IN20O6 and a molecular weight of 2238.55 g/mol. Its IUPAC name is 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 159101025
• Molecular Formula: C111H130Br2ClF4IN20O6
• Molecular Weight: 2238.55 g/mol
• Exact Mass: 2234.75
• IUPAC Name: 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1F.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(OC)c(Cl)c1.CCCn1c(CN(CC)C(=O)c2cccc(I)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2Br)nc2cccnc21
• InChI: InChI=1S/C25H28F4N4O.C23H27BrN4O.C22H27BrN4O.C22H27ClN4O2.C19H21IN4O/c1-16(2)12-14-32(24(34)18-9-5-10-19(22(18)26)25(27,28)29)15-21-31-20-11-6-13-30-23(20)33(21)17-7-3-4-8-17;1-2-3-14-27(23(29)17-8-6-9-18(24)15-17)16-21-26-20-12-7-13-25-22(20)28(21)19-10-4-5-11-19;1-4-13-27-20(25-19-10-7-12-24-21(19)27)15-26(14-11-16(2)3)22(28)17-8-5-6-9-18(17)23;1-4-6-13-26(22(28)16-9-10-19(29-3)17(23)14-16)15-20-25-18-8-7-11-24-21(18)27(20)12-5-2;1-3-11-24-17(22-16-9-6-10-21-18(16)24)13-23(4-2)19(25)14-7-5-8-15(20)12-14/h5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;6-9,12-13,15,19H,2-5,10-11,14,16H2,1H3;5-10,12,16H,4,11,13-15H2,1-3H3;7-11,14H,4-6,12-13,15H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3
• InChIKey: KDHACGXZNGFFSK-UHFFFAOYSA-N
• XLogP: 26.49
• TPSA: 264.33 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 37
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.55
LogP ≤ 5	26.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 159101025) is 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1F.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(OC)c(Cl)c1.CCCn1c(CN(CC)C(=O)c2cccc(I)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2Br)nc2cccnc21.

What is the InChIKey of 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is KDHACGXZNGFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N4O.C23H27BrN4O.C22H27BrN4O.C22H27ClN4O2.C19H21IN4O/c1-16(2)12-14-32(24(34)18-9-5-10-19(22(18)26)25(27,28)29)15-21-31-20-11-6-13-30-23(20)33(21)17-7-3-4-8-17;1-2-3-14-27(23(29)17-8-6-9-18(24)15-17)16-21-26-20-12-7-13-25-22(20)28(21)19-10-4-5-11-19;1-4-13-27-20(25-19-10-7-12-24-21(19)27)15-26(14-11-16(2)3)22(28)17-8-5-6-9-18(17)23;1-4-6-13-26(22(28)16-9-10-19(29-3)17(23)14-16)15-20-25-18-8-7-11-24-21(18)27(20)12-5-2;1-3-11-24-17(22-16-9-6-10-21-18(16)24)13-23(4-2)19(25)14-7-5-8-15(20)12-14/h5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;6-9,12-13,15,19H,2-5,10-11,14,16H2,1H3;5-10,12,16H,4,11,13-15H2,1-3H3;7-11,14H,4-6,12-13,15H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3.

What are the key properties of 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 2238.55 g/mol, XLogP of 26.49, 37 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 159101025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).