3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide

C91H111Br2IN16O5 — CID 158741267

IUPAC3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCCCOc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2C2CCCC2)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Br)cc2)nc2cccnc21.CCCn1c(CN(CC)C(=O)c2cccc(Br)c2)nc2cccnc21
InChIInChI=1S/C28H38N4O2.C23H27IN4O.C21H25BrN4O.C19H21BrN4O/c1-3-5-9-20-34-24-16-14-22(15-17-24)28(33)31(19-6-4-2)21-26-30-25-13-10-18-29-27(25)32(26)23-11-7-8-12-23;1-16(2)14-27(23(29)17-9-11-18(24)12-10-17)15-21-26-20-8-5-13-25-22(20)28(21)19-6-3-4-7-19;1-4-12-26-19(24-18-6-5-11-23-20(18)26)14-25(13-15(2)3)21(27)16-7-9-17(22)10-8-16;1-3-11-24-17(22-16-9-6-10-21-18(16)24)13-23(4-2)19(25)14-7-5-8-15(20)12-14/h10,13-18,23H,3-9,11-12,19-21H2,1-2H3;5,8-13,16,19H,3-4,6-7,14-15H2,1-2H3;5-11,15H,4,12-14H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3
InChIKeyIMICGBKUBPUUIL-UHFFFAOYSA-N
MW1795.71 g/mol
LogP21.18
Rot. Bonds31

About 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide

3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide (PubChem CID 158741267) has the molecular formula C91H111Br2IN16O5 and a molecular weight of 1795.71 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide
PubChem CID158741267
Molecular FormulaC91H111Br2IN16O5
Molecular Weight1795.71 g/mol
Exact Mass1792.63
IUPAC Name3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCCCOc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2C2CCCC2)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Br)cc2)nc2cccnc21.CCCn1c(CN(CC)C(=O)c2cccc(Br)c2)nc2cccnc21
InChIInChI=1S/C28H38N4O2.C23H27IN4O.C21H25BrN4O.C19H21BrN4O/c1-3-5-9-20-34-24-16-14-22(15-17-24)28(33)31(19-6-4-2)21-26-30-25-13-10-18-29-27(25)32(26)23-11-7-8-12-23;1-16(2)14-27(23(29)17-9-11-18(24)12-10-17)15-21-26-20-8-5-13-25-22(20)28(21)19-6-3-4-7-19;1-4-12-26-19(24-18-6-5-11-23-20(18)26)14-25(13-15(2)3)21(27)16-7-9-17(22)10-8-16;1-3-11-24-17(22-16-9-6-10-21-18(16)24)13-23(4-2)19(25)14-7-5-8-15(20)12-14/h10,13-18,23H,3-9,11-12,19-21H2,1-2H3;5,8-13,16,19H,3-4,6-7,14-15H2,1-2H3;5-11,15H,4,12-14H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3
InChIKeyIMICGBKUBPUUIL-UHFFFAOYSA-N
XLogP21.18
TPSA213.31 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.71
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-3-chloro-4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-ethyl-3-iodo-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 159101025
N-benzyl-2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-methylethanamine;N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;1-[4-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperazin-1-yl]ethanone
CID 87958366
1-[3-[5-[[2-[6-[bis(3-methylbutyl)carbamoyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridin-2-yl]-4-bromophenoxy]methyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)imidazo[4,5-c]pyridine-6-carboxamide
CID 123353012
1-[3-[3-[[2-[6-[bis(3-methylbutyl)carbamoyl]-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridin-2-yl]-4-bromophenoxy]methyl]piperidin-1-yl]propyl]-2-(4-methoxyphenyl)-N,N-bis(3-methylbutyl)imidazo[4,5-c]pyridine-6-carboxamide
CID 123568440
3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;4-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;5-chloro-2-methoxy-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 157116828
N-benzyl-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentoxybenzamide
CID 157215936
[4-(3-Bromoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-bromoimidazo[1,2-a]pyrazin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;(4-imidazo[1,2-a]pyrazin-6-ylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157300917
3-bromo-4-phenylmethoxybenzaldehyde;2-(3-bromo-4-phenylmethoxyphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;tert-butyl 4-[2-(3-bromo-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;methane
CID 157451753
[4-(3-Bromoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-bromoimidazo[1,2-a]pyrazin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;(4-imidazo[1,2-a]pyrazin-6-ylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl] formate;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;[4-(3-iodoimidazo[1,2-a]pyrazin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 157639175
3-bromo-N-butyl-4-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxybenzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;2,5-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide
CID 157989991
4-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluorobenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide;5-chloro-2-methoxy-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 157991177
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-fluoro-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-fluoro-4-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-4-propan-2-yloxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 158094336

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide (CID 158741267) is 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(I)cc1.CCCCCOc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2C2CCCC2)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Br)cc2)nc2cccnc21.CCCn1c(CN(CC)C(=O)c2cccc(Br)c2)nc2cccnc21.
What is the InChIKey of 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide?
The InChIKey is IMICGBKUBPUUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2.C23H27IN4O.C21H25BrN4O.C19H21BrN4O/c1-3-5-9-20-34-24-16-14-22(15-17-24)28(33)31(19-6-4-2)21-26-30-25-13-10-18-29-27(25)32(26)23-11-7-8-12-23;1-16(2)14-27(23(29)17-9-11-18(24)12-10-17)15-21-26-20-8-5-13-25-22(20)28(21)19-6-3-4-7-19;1-4-12-26-19(24-18-6-5-11-23-20(18)26)14-25(13-15(2)3)21(27)16-7-9-17(22)10-8-16;1-3-11-24-17(22-16-9-6-10-21-18(16)24)13-23(4-2)19(25)14-7-5-8-15(20)12-14/h10,13-18,23H,3-9,11-12,19-21H2,1-2H3;5,8-13,16,19H,3-4,6-7,14-15H2,1-2H3;5-11,15H,4,12-14H2,1-3H3;5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide?
3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide has a molecular weight of 1795.71 g/mol, XLogP of 21.18, 31 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-pentoxybenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 158741267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).