4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C113H129BrCl2F3IN20O5 — CID 158535229

About 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158535229) has the molecular formula C113H129BrCl2F3IN20O5 and a molecular weight of 2182.12 g/mol. Its IUPAC name is 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 158535229
• Molecular Formula: C113H129BrCl2F3IN20O5
• Molecular Weight: 2182.12 g/mol
• Exact Mass: 2178.80
• IUPAC Name: 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(Cl)c1.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(I)c1.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)/C=C/c1ccccc1Cl.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(Br)cc1
• InChI: InChI=1S/C24H28ClFN4O.C23H25ClN4O.C23H26F2N4O.C22H27IN4O.C21H23BrN4O/c1-2-3-6-14-29(24(31)17-11-12-20(26)19(25)15-17)16-22-28-21-10-7-13-27-23(21)30(22)18-8-4-5-9-18;1-2-14-27(22(29)12-11-18-6-3-4-7-19(18)24)16-21-26-20-8-5-13-25-23(20)28(21)15-17-9-10-17;1-2-3-13-28(23(30)18-14-16(24)10-11-19(18)25)15-21-27-20-9-6-12-26-22(20)29(21)17-7-4-5-8-17;1-3-5-6-14-26(22(28)17-9-7-10-18(23)15-17)16-20-25-19-11-8-12-24-21(19)27(20)13-4-2;1-2-12-25(21(27)16-7-9-17(22)10-8-16)14-19-24-18-4-3-11-23-20(18)26(19)13-15-5-6-15/h7,10-13,15,18H,2-6,8-9,14,16H2,1H3;3-8,11-13,17H,2,9-10,14-16H2,1H3;6,9-12,14,17H,2-5,7-8,13,15H2,1H3;7-12,15H,3-6,13-14,16H2,1-2H3;3-4,7-11,15H,2,5-6,12-14H2,1H3/b;12-11+
• InChIKey: HNWBLNQZXIEDGP-HDWVHSOMSA-N
• XLogP: 26.32
• TPSA: 255.10 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 39
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.12
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 158535229) is 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(Cl)c1.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(I)c1.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)/C=C/c1ccccc1Cl.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(Br)cc1.

What is the InChIKey of 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is HNWBLNQZXIEDGP-HDWVHSOMSA-N. The full InChI is InChI=1S/C24H28ClFN4O.C23H25ClN4O.C23H26F2N4O.C22H27IN4O.C21H23BrN4O/c1-2-3-6-14-29(24(31)17-11-12-20(26)19(25)15-17)16-22-28-21-10-7-13-27-23(21)30(22)18-8-4-5-9-18;1-2-14-27(22(29)12-11-18-6-3-4-7-19(18)24)16-21-26-20-8-5-13-25-23(20)28(21)15-17-9-10-17;1-2-3-13-28(23(30)18-14-16(24)10-11-19(18)25)15-21-27-20-9-6-12-26-22(20)29(21)17-7-4-5-8-17;1-3-5-6-14-26(22(28)17-9-7-10-18(23)15-17)16-20-25-19-11-8-12-24-21(19)27(20)13-4-2;1-2-12-25(21(27)16-7-9-17(22)10-8-16)14-19-24-18-4-3-11-23-20(18)26(19)13-15-5-6-15/h7,10-13,15,18H,2-6,8-9,14,16H2,1H3;3-8,11-13,17H,2,9-10,14-16H2,1H3;6,9-12,14,17H,2-5,7-8,13,15H2,1H3;7-12,15H,3-6,13-14,16H2,1-2H3;3-4,7-11,15H,2,5-6,12-14H2,1H3/b;12-11+;;;.

What are the key properties of 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 2182.12 g/mol, XLogP of 26.32, 39 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-difluorobenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-pentylbenzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylprop-2-enamide;3-iodo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158535229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).