N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C111H137Cl2FN20O5S3 — CID 157059598

About N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 157059598) has the molecular formula C111H137Cl2FN20O5S3 and a molecular weight of 2017.56 g/mol. Its IUPAC name is N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 157059598
• Molecular Formula: C111H137Cl2FN20O5S3
• Molecular Weight: 2017.56 g/mol
• Exact Mass: 2014.96
• IUPAC Name: N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1.CC(C)CN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1sccc1Cl.CCCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1sccc1Cl.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(SCC)cc1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(F)c2)nc2cccnc21
• InChI: InChI=1S/C24H30N4O.C23H29FN4O.C23H30N4OS.C21H25ClN4OS.C20H23ClN4OS/c1-18(2)14-16-27(24(29)19-9-4-3-5-10-19)17-22-26-21-13-8-15-25-23(21)28(22)20-11-6-7-12-20;1-5-12-28-21(26-20-7-6-11-25-22(20)28)15-27(13-10-16(2)3)23(29)18-9-8-17(4)19(24)14-18;1-4-7-16-26(23(28)18-10-12-19(13-11-18)29-6-3)17-21-25-20-9-8-14-24-22(20)27(21)15-5-2;1-2-3-4-11-25(21(27)19-16(22)9-12-28-19)14-18-24-17-6-5-10-23-20(17)26(18)13-15-7-8-15;1-13(2)10-24(20(26)18-15(21)7-9-27-18)12-17-23-16-4-3-8-22-19(16)25(17)11-14-5-6-14/h3-5,8-10,13,15,18,20H,6-7,11-12,14,16-17H2,1-2H3;6-9,11,14,16H,5,10,12-13,15H2,1-4H3;8-14H,4-7,15-17H2,1-3H3;5-6,9-10,12,15H,2-4,7-8,11,13-14H2,1H3;3-4,7-9,13-14H,5-6,10-12H2,1-2H3
• InChIKey: ABEBTJDWHMTEJK-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 255.10 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 41
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.56
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 157059598) is N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1.CC(C)CN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1sccc1Cl.CCCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1sccc1Cl.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(SCC)cc1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)c(F)c2)nc2cccnc21.

What is the InChIKey of N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is ABEBTJDWHMTEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.C23H29FN4O.C23H30N4OS.C21H25ClN4OS.C20H23ClN4OS/c1-18(2)14-16-27(24(29)19-9-4-3-5-10-19)17-22-26-21-13-8-15-25-23(21)28(22)20-11-6-7-12-20;1-5-12-28-21(26-20-7-6-11-25-22(20)28)15-27(13-10-16(2)3)23(29)18-9-8-17(4)19(24)14-18;1-4-7-16-26(23(28)18-10-12-19(13-11-18)29-6-3)17-21-25-20-9-8-14-24-22(20)27(21)15-5-2;1-2-3-4-11-25(21(27)19-16(22)9-12-28-19)14-18-24-17-6-5-10-23-20(17)26(18)13-15-7-8-15;1-13(2)10-24(20(26)18-15(21)7-9-27-18)12-17-23-16-4-3-8-22-19(16)25(17)11-14-5-6-14/h3-5,8-10,13,15,18,20H,6-7,11-12,14,16-17H2,1-2H3;6-9,11,14,16H,5,10,12-13,15H2,1-4H3;8-14H,4-7,15-17H2,1-3H3;5-6,9-10,12,15H,2-4,7-8,11,13-14H2,1H3;3-4,7-9,13-14H,5-6,10-12H2,1-2H3.

What are the key properties of N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 2017.56 g/mol, XLogP of 25.85, 41 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-ethylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide;3-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-pentylthiophene-2-carboxamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-4-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 157059598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).