N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C108H140F3N17O6 — CID 158326043

IUPACN-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCCCc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2CCC)cc1.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1c(F)ccc(F)c1F.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCc3ccc(OC)cc3)c2)nc2cccnc21
InChIInChI=1S/C32H41N5O3.C30H42N4O.C26H36N4O.C20H21F3N4O/c1-5-18-37-30(35-29-10-7-16-34-31(29)37)23-36(19-15-24(2)3)32(38)26-8-6-9-28(21-26)40-20-17-33-22-25-11-13-27(39-4)14-12-25;1-4-5-6-7-8-12-24-16-18-25(19-17-24)30(35)33(21-23(2)3)22-28-32-27-15-11-20-31-29(27)34(28)26-13-9-10-14-26;1-4-7-9-11-21-13-15-22(16-14-21)26(31)29(19-8-5-2)20-24-28-23-12-10-17-27-25(23)30(24)18-6-3;1-3-10-26(20(28)17-13(21)7-8-14(22)18(17)23)12-16-25-15-6-5-9-24-19(15)27(16)11-4-2/h6-14,16,21,24,33H,5,15,17-20,22-23H2,1-4H3;11,15-20,23,26H,4-10,12-14,21-22H2,1-3H3;10,12-17H,4-9,11,18-20H2,1-3H3;5-9H,3-4,10-12H2,1-2H3
InChIKeyGPKNATOVCYXMGJ-UHFFFAOYSA-N
MW1829.41 g/mol
LogP23.39
Rot. Bonds46

About N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158326043) has the molecular formula C108H140F3N17O6 and a molecular weight of 1829.41 g/mol. Its IUPAC name is N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
PubChem CID158326043
Molecular FormulaC108H140F3N17O6
Molecular Weight1829.41 g/mol
Exact Mass1828.11
IUPAC NameN-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCCCCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCCCc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2CCC)cc1.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1c(F)ccc(F)c1F.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCc3ccc(OC)cc3)c2)nc2cccnc21
InChIInChI=1S/C32H41N5O3.C30H42N4O.C26H36N4O.C20H21F3N4O/c1-5-18-37-30(35-29-10-7-16-34-31(29)37)23-36(19-15-24(2)3)32(38)26-8-6-9-28(21-26)40-20-17-33-22-25-11-13-27(39-4)14-12-25;1-4-5-6-7-8-12-24-16-18-25(19-17-24)30(35)33(21-23(2)3)22-28-32-27-15-11-20-31-29(27)34(28)26-13-9-10-14-26;1-4-7-9-11-21-13-15-22(16-14-21)26(31)29(19-8-5-2)20-24-28-23-12-10-17-27-25(23)30(24)18-6-3;1-3-10-26(20(28)17-13(21)7-8-14(22)18(17)23)12-16-25-15-6-5-9-24-19(15)27(16)11-4-2/h6-14,16,21,24,33H,5,15,17-20,22-23H2,1-4H3;11,15-20,23,26H,4-10,12-14,21-22H2,1-3H3;10,12-17H,4-9,11,18-20H2,1-3H3;5-9H,3-4,10-12H2,1-2H3
InChIKeyGPKNATOVCYXMGJ-UHFFFAOYSA-N
XLogP23.39
TPSA234.57 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds46
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001829.41
LogP ≤ 523.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide with MolForge

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Related Compounds

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-fluoroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902757
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-propan-2-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283304
4-[3-[(6R,8aS)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901604
4-(8-amino-3-((3R,8aR)-6-oxohexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902185
4-(8-amino-3-((1R,6R,8aS)-1-methyl-3-oxohexahydro-1H-oxazolo[3,4-a]pyridin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77107253
4-[3-[(6R,8aS)-1,1-dimethyl-3-oxo-2,5,6,7,8,8a-hexahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90282970
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-5-ethoxy-2-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283564
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283602
US10040805, Example 1
CID 121455019
US10040805, Example 7
CID 121461279
US10040805, Example 11
CID 121461942

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The IUPAC name of N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 158326043) is N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCCCc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2CCC)cc1.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1c(F)ccc(F)c1F.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCc3ccc(OC)cc3)c2)nc2cccnc21.
What is the InChIKey of N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The InChIKey is GPKNATOVCYXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O3.C30H42N4O.C26H36N4O.C20H21F3N4O/c1-5-18-37-30(35-29-10-7-16-34-31(29)37)23-36(19-15-24(2)3)32(38)26-8-6-9-28(21-26)40-20-17-33-22-25-11-13-27(39-4)14-12-25;1-4-5-6-7-8-12-24-16-18-25(19-17-24)30(35)33(21-23(2)3)22-28-32-27-15-11-20-31-29(27)34(28)26-13-9-10-14-26;1-4-7-9-11-21-13-15-22(16-14-21)26(31)29(19-8-5-2)20-24-28-23-12-10-17-27-25(23)30(24)18-6-3;1-3-10-26(20(28)17-13(21)7-8-14(22)18(17)23)12-16-25-15-6-5-9-24-19(15)27(16)11-4-2/h6-14,16,21,24,33H,5,15,17-20,22-23H2,1-4H3;11,15-20,23,26H,4-10,12-14,21-22H2,1-3H3;10,12-17H,4-9,11,18-20H2,1-3H3;5-9H,3-4,10-12H2,1-2H3.
What are the key properties of N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1829.41 g/mol, XLogP of 23.39, 46 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-heptyl-N-(2-methylpropyl)benzamide;3-[2-[(4-methoxyphenyl)methylamino]ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,3,6-trifluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158326043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).