3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C111H129BrF6N20O6S3 — CID 159080509

About 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 159080509) has the molecular formula C111H129BrF6N20O6S3 and a molecular weight of 2129.48 g/mol. Its IUPAC name is 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 159080509
• Molecular Formula: C111H129BrF6N20O6S3
• Molecular Weight: 2129.48 g/mol
• Exact Mass: 2126.87
• IUPAC Name: 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: C=CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1C(F)(F)F.CCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(SC)s1.CCCn1c(CN(CC(C)C)C(=O)c2cccc(C)c2F)nc2cccnc21.CCOc1ccsc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1CC1CC1
• InChI: InChI=1S/C24H26F4N4O.C23H30N4O2S.C22H27FN4O.C21H20BrFN4O.C21H26N4OS2/c1-15(2)10-12-31(23(33)21-17(24(26,27)28)5-3-6-18(21)25)14-20-30-19-7-4-11-29-22(19)32(20)13-16-8-9-16;1-4-29-19-10-13-30-21(19)23(28)26(12-9-16(2)3)15-20-25-18-6-5-11-24-22(18)27(20)14-17-7-8-17;1-5-12-27-19(25-18-10-7-11-24-21(18)27)14-26(13-15(2)3)22(28)17-9-6-8-16(4)20(17)23;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;1-3-4-12-24(21(26)17-9-10-19(27-2)28-17)14-18-23-16-6-5-11-22-20(16)25(18)13-15-7-8-15/h3-7,11,15-16H,8-10,12-14H2,1-2H3;5-6,10-11,13,16-17H,4,7-9,12,14-15H2,1-3H3;6-11,15H,5,12-14H2,1-4H3;2-4,7-9,11,14H,1,5-6,10,12-13H2;5-6,9-11,15H,3-4,7-8,12-14H2,1-2H3
• InChIKey: KAUIDPZRSOTQLY-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 264.33 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 41
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.48
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', '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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 159080509) is 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is C=CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(F)c(Br)c1.CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1C(F)(F)F.CCCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(SC)s1.CCCn1c(CN(CC(C)C)C(=O)c2cccc(C)c2F)nc2cccnc21.CCOc1ccsc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1CC1CC1.

What is the InChIKey of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is KAUIDPZRSOTQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N4O.C23H30N4O2S.C22H27FN4O.C21H20BrFN4O.C21H26N4OS2/c1-15(2)10-12-31(23(33)21-17(24(26,27)28)5-3-6-18(21)25)14-20-30-19-7-4-11-29-22(19)32(20)13-16-8-9-16;1-4-29-19-10-13-30-21(19)23(28)26(12-9-16(2)3)15-20-25-18-6-5-11-24-22(18)27(20)14-17-7-8-17;1-5-12-27-19(25-18-10-7-11-24-21(18)27)14-26(13-15(2)3)22(28)17-9-6-8-16(4)20(17)23;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;1-3-4-12-24(21(26)17-9-10-19(27-2)28-17)14-18-23-16-6-5-11-22-20(16)25(18)13-15-7-8-15/h3-7,11,15-16H,8-10,12-14H2,1-2H3;5-6,10-11,13,16-17H,4,7-9,12,14-15H2,1-3H3;6-11,15H,5,12-14H2,1-4H3;2-4,7-9,11,14H,1,5-6,10,12-13H2;5-6,9-11,15H,3-4,7-8,12-14H2,1-2H3.

What are the key properties of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 2129.48 g/mol, XLogP of 24.90, 41 rotatable bonds, 0 hydrogen bond donors, and 24 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-prop-2-enylbenzamide;N-butyl-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-5-methylsulfanylthiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-ethoxy-N-(3-methylbutyl)thiophene-2-carboxamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-fluoro-N-(3-methylbutyl)-6-(trifluoromethyl)benzamide;2-fluoro-3-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 159080509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).