1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride

C86H108Br2Cl2N22O2 — CID 159671085

IUPAC1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CN.CN1CCC(N)CC1.CN1CCC(Nc2nc3ncc(Br)cc3n2Cc2ccccc2)CC1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C23H28N6O.C21H27N5.C19H22BrN5.C13H9BrClN3.C6H14N2.C3H3ClO.CH5N/c1-4-21(30)28(3)19-14-20-22(24-15-19)26-23(25-18-10-12-27(2)13-11-18)29(20)16-17-8-6-5-7-9-17;1-3-16-13-19-20(22-14-16)24-21(23-18-9-11-25(2)12-10-18)26(19)15-17-7-5-4-6-8-17;1-24-9-7-16(8-10-24)22-19-23-18-17(11-15(20)12-21-18)25(19)13-14-5-3-2-4-6-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-8-4-2-6(7)3-5-8;1-2-3(4)5;1-2/h4-9,14-15,18H,1,10-13,16H2,2-3H3,(H,24,25,26);4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,22,23,24);2-6,11-12,16H,7-10,13H2,1H3,(H,21,22,23);1-7H,8H2;6H,2-5,7H2,1H3;2H,1H2;2H2,1H3
InChIKeyMTZVSFAXSPCVFJ-UHFFFAOYSA-N
MW1712.68 g/mol
LogP14.88
Rot. Bonds18

About 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride (PubChem CID 159671085) has the molecular formula C86H108Br2Cl2N22O2 and a molecular weight of 1712.68 g/mol. Its IUPAC name is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride.

Molecular Properties

Compound Name1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride
PubChem CID159671085
Molecular FormulaC86H108Br2Cl2N22O2
Molecular Weight1712.68 g/mol
Exact Mass1708.68
IUPAC Name1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CN.CN1CCC(N)CC1.CN1CCC(Nc2nc3ncc(Br)cc3n2Cc2ccccc2)CC1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1
InChIInChI=1S/C23H28N6O.C21H27N5.C19H22BrN5.C13H9BrClN3.C6H14N2.C3H3ClO.CH5N/c1-4-21(30)28(3)19-14-20-22(24-15-19)26-23(25-18-10-12-27(2)13-11-18)29(20)16-17-8-6-5-7-9-17;1-3-16-13-19-20(22-14-16)24-21(23-18-9-11-25(2)12-10-18)26(19)15-17-7-5-4-6-8-17;1-24-9-7-16(8-10-24)22-19-23-18-17(11-15(20)12-21-18)25(19)13-14-5-3-2-4-6-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-8-4-2-6(7)3-5-8;1-2-3(4)5;1-2/h4-9,14-15,18H,1,10-13,16H2,2-3H3,(H,24,25,26);4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,22,23,24);2-6,11-12,16H,7-10,13H2,1H3,(H,21,22,23);1-7H,8H2;6H,2-5,7H2,1H3;2H,1H2;2H2,1H3
InChIKeyMTZVSFAXSPCVFJ-UHFFFAOYSA-N
XLogP14.88
TPSA261.31 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.68
LogP ≤ 514.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride with MolForge

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Related Compounds

3-bromo-7H-cyclopenta[b]pyridine;5-bromo-1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide;4,6-dichloro-N-(2-hydroxyethyl)-N-[1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]pyrimidine-5-carboxamide;4,6-dichloropyrimidine-5-carbonyl chloride;N-propyl-1-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-5-amine
CID 157579580
8-N-cyclohexyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-ylpurine-2,8-diamine;N-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]-9-propan-2-ylpurin-8-yl]amino]phenyl]prop-2-enamide;2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine;2-N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-8-N-[4-(trifluoromethyl)phenyl]purine-2,8-diamine
CID 161474989
2-Bromo-1-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]ethanone;2-(4-methylpiperazin-1-yl)-1-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]ethanone
CID 89179459
(8aS)-7-(5-bromopyrimidin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aS)-7-[5-[(3R)-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(3R)-11-bromo-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 157137270
(8aR)-7-(5-bromopyrimidin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(8aR)-7-[5-[(3R)-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-11-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;(3R)-11-bromo-3-phenyl-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 157137271
5-bromo-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;ethane
CID 157138921
12-methylidene-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one;12-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10-pentaene-13,1'-cyclohexane]-4-amine;12-methylidene-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-amine;N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]spiro[6H-pyrimido[5,4-b]indolizine-9,1'-cyclohexane]-2-amine
CID 157212526
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-2-one;4-methyl-1-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-2-one;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridin-3-ylimidazo[1,2-a]pyridine
CID 157348306
5-bromo-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 157407803
acetic acid;acetyl acetate;6-bromo-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine;5-bromo-3-N-propan-2-ylpyridine-2,3-diamine;5-bromopyridine-2,3-diamine;6-(2-chloropyrimidin-4-yl)-2-methyl-1-propan-2-ylimidazo[4,5-b]pyridine;2,4-dichloropyrimidine;methane
CID 157439985
N-[4-[4-(3-aminopropanoyl)piperazin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-phenyl-4-[4-[3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157442874
6-bromo-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;5-methyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide;7-methyl-N-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 157629388

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride?
The IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride (CID 159671085) is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride.
What is the SMILES notation for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride?
The canonical SMILES for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(NC3CCN(C)CC3)n(Cc3ccccc3)c2c1.CN.CN1CCC(N)CC1.CN1CCC(Nc2nc3ncc(Br)cc3n2Cc2ccccc2)CC1.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride?
The InChIKey is MTZVSFAXSPCVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C21H27N5.C19H22BrN5.C13H9BrClN3.C6H14N2.C3H3ClO.CH5N/c1-4-21(30)28(3)19-14-20-22(24-15-19)26-23(25-18-10-12-27(2)13-11-18)29(20)16-17-8-6-5-7-9-17;1-3-16-13-19-20(22-14-16)24-21(23-18-9-11-25(2)12-10-18)26(19)15-17-7-5-4-6-8-17;1-24-9-7-16(8-10-24)22-19-23-18-17(11-15(20)12-21-18)25(19)13-14-5-3-2-4-6-14;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-8-4-2-6(7)3-5-8;1-2-3(4)5;1-2/h4-9,14-15,18H,1,10-13,16H2,2-3H3,(H,24,25,26);4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,22,23,24);2-6,11-12,16H,7-10,13H2,1H3,(H,21,22,23);1-7H,8H2;6H,2-5,7H2,1H3;2H,1H2;2H2,1H3.
What are the key properties of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride?
1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride has a molecular weight of 1712.68 g/mol, XLogP of 14.88, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-[(1-methylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;1-methylpiperidin-4-amine;prop-2-enoyl chloride is sourced from PubChem (CID 159671085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).