3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C86H100BrCl3F2N16O4S2 — CID 158813012

About 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158813012) has the molecular formula C86H100BrCl3F2N16O4S2 and a molecular weight of 1710.25 g/mol. Its IUPAC name is 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 158813012
• Molecular Formula: C86H100BrCl3F2N16O4S2
• Molecular Weight: 1710.25 g/mol
• Exact Mass: 1706.58
• IUPAC Name: 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C)c1F.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CCCn1c(CN(CC(C)C)C(=O)c2c(Cl)cc(Cl)cc2Cl)nc2cccnc21.CSc1ccc(C(=O)N(Cc2nc3cccnc3n2CC2CC2)CC(C)C)s1
• InChI: InChI=1S/C23H29FN4O.C21H22BrFN4O.C21H23Cl3N4O.C21H26N4OS2/c1-4-6-7-15-27(23(29)18-11-8-10-17(3)21(18)24)16-20-26-19-12-9-13-25-22(19)28(20)14-5-2;1-2-10-26(21(28)15-7-8-17(23)16(22)11-15)13-19-25-18-4-3-9-24-20(18)27(19)12-14-5-6-14;1-4-8-28-18(26-17-6-5-7-25-20(17)28)12-27(11-13(2)3)21(29)19-15(23)9-14(22)10-16(19)24;1-14(2)11-24(21(26)17-8-9-19(27-3)28-17)13-18-23-16-5-4-10-22-20(16)25(18)12-15-6-7-15/h8-13H,4-7,14-16H2,1-3H3;3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3;5-7,9-10,13H,4,8,11-12H2,1-3H3;4-5,8-10,14-15H,6-7,11-13H2,1-3H3
• InChIKey: IUXOQJUNLZXVBQ-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 204.08 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.25
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 158813012) is 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C)c1F.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CCCn1c(CN(CC(C)C)C(=O)c2c(Cl)cc(Cl)cc2Cl)nc2cccnc21.CSc1ccc(C(=O)N(Cc2nc3cccnc3n2CC2CC2)CC(C)C)s1.

What is the InChIKey of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is IUXOQJUNLZXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O.C21H22BrFN4O.C21H23Cl3N4O.C21H26N4OS2/c1-4-6-7-15-27(23(29)18-11-8-10-17(3)21(18)24)16-20-26-19-12-9-13-25-22(19)28(20)14-5-2;1-2-10-26(21(28)15-7-8-17(23)16(22)11-15)13-19-25-18-4-3-9-24-20(18)27(19)12-14-5-6-14;1-4-8-28-18(26-17-6-5-7-25-20(17)28)12-27(11-13(2)3)21(29)19-15(23)9-14(22)10-16(19)24;1-14(2)11-24(21(26)17-8-9-19(27-3)28-17)13-18-23-16-5-4-10-22-20(16)25(18)12-15-6-7-15/h8-13H,4-7,14-16H2,1-3H3;3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3;5-7,9-10,13H,4,8,11-12H2,1-3H3;4-5,8-10,14-15H,6-7,11-13H2,1-3H3.

What are the key properties of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1710.25 g/mol, XLogP of 20.94, 31 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-propylbenzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)-5-methylsulfanylthiophene-2-carboxamide;2-fluoro-3-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,4,6-trichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158813012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).