N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

C112H126Cl4F4N20O8 — CID 157496779

About N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 157496779) has the molecular formula C112H126Cl4F4N20O8 and a molecular weight of 2098.18 g/mol. Its IUPAC name is N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 157496779
• Molecular Formula: C112H126Cl4F4N20O8
• Molecular Weight: 2098.18 g/mol
• Exact Mass: 2094.88
• IUPAC Name: N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
• SMILES: CC(C)CN(Cc1nc2cccnc2n1CC1CC1)C(=O)Cc1ccc(Cl)cc1.CCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1C(F)(F)F.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2cccnc21
• InChI: InChI=1S/C23H27ClN4O.C23H24F4N4O.C23H28N4O3.C22H25ClN4O2.C21H22Cl2N4O/c1-16(2)13-27(22(29)12-17-7-9-19(24)10-8-17)15-21-26-20-4-3-11-25-23(20)28(21)14-18-5-6-18;1-2-3-12-30(22(32)20-16(23(25,26)27)6-4-7-17(20)24)14-19-29-18-8-5-11-28-21(18)31(19)13-15-9-10-15;1-4-11-27-21(25-18-6-5-10-24-22(18)27)14-26(12-9-16(2)3)23(28)17-7-8-19-20(13-17)30-15-29-19;1-3-11-26(22(28)17-12-16(23)8-9-19(17)29-2)14-20-25-18-5-4-10-24-21(18)27(20)13-15-6-7-15;1-2-10-26(21(28)15-7-8-16(22)17(23)11-15)13-19-25-18-4-3-9-24-20(18)27(19)12-14-5-6-14/h3-4,7-11,16,18H,5-6,12-15H2,1-2H3;4-8,11,15H,2-3,9-10,12-14H2,1H3;5-8,10,13,16H,4,9,11-12,14-15H2,1-3H3;4-5,8-10,12,15H,3,6-7,11,13-14H2,1-2H3;3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3
• InChIKey: BXXUXOJTQWONRP-UHFFFAOYSA-N
• XLogP: 24.18
• TPSA: 282.79 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.18
LogP ≤ 5	24.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 157496779) is N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is CC(C)CN(Cc1nc2cccnc2n1CC1CC1)C(=O)Cc1ccc(Cl)cc1.CCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1C(F)(F)F.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(Cl)c(Cl)c1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2cccnc21.

What is the InChIKey of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is BXXUXOJTQWONRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O.C23H24F4N4O.C23H28N4O3.C22H25ClN4O2.C21H22Cl2N4O/c1-16(2)13-27(22(29)12-17-7-9-19(24)10-8-17)15-21-26-20-4-3-11-25-23(20)28(21)14-18-5-6-18;1-2-3-12-30(22(32)20-16(23(25,26)27)6-4-7-17(20)24)14-19-29-18-8-5-11-28-21(18)31(19)13-15-9-10-15;1-4-11-27-21(25-18-6-5-10-24-22(18)27)14-26(12-9-16(2)3)23(28)17-7-8-19-20(13-17)30-15-29-19;1-3-11-26(22(28)17-12-16(23)8-9-19(17)29-2)14-20-25-18-5-4-10-24-21(18)27(20)13-15-6-7-15;1-2-10-26(21(28)15-7-8-16(22)17(23)11-15)13-19-25-18-4-3-9-24-20(18)27(19)12-14-5-6-14/h3-4,7-11,16,18H,5-6,12-15H2,1-2H3;4-8,11,15H,2-3,9-10,12-14H2,1H3;5-8,10,13,16H,4,9,11-12,14-15H2,1-3H3;4-5,8-10,12,15H,3,6-7,11,13-14H2,1-2H3;3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3.

What are the key properties of N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 2098.18 g/mol, XLogP of 24.18, 39 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-propylbenzamide;2-(4-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methylpropyl)acetamide;3,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 157496779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).