6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine

C68H77Br2N27O5S3 — CID 161336649

IUPAC6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine
SMILESC#CCc1cnc2nc(C)[nH]c2c1.Cc1nc2ncc(CBr)cc2[nH]1.Cc1nc2ncc(CCBr)cc2[nH]1.Cc1nc2ncc(CCN)cc2[nH]1.Cc1nc2ncc(CN)cc2[nH]1.Cc1nc2ncc(CS(=O)(=O)O)cc2[nH]1.Cc1nc2ncc(CS(N)(=O)=O)cc2[nH]1.Cc1nc2ncc(CS)cc2[nH]1
InChIInChI=1S/C10H9N3.C9H10BrN3.C9H12N4.C8H8BrN3.C8H10N4O2S.C8H10N4.C8H9N3O3S.C8H9N3S/c1-3-4-8-5-9-10(11-6-8)13-7(2)12-9;2*1-6-12-8-4-7(2-3-10)5-11-9(8)13-6;1-5-11-7-2-6(3-9)4-10-8(7)12-5;1-5-11-7-2-6(4-15(9,13)14)3-10-8(7)12-5;1-5-11-7-2-6(3-9)4-10-8(7)12-5;1-5-10-7-2-6(4-15(12,13)14)3-9-8(7)11-5;1-5-10-7-2-6(4-12)3-9-8(7)11-5/h1,5-6H,4H2,2H3,(H,11,12,13);4-5H,2-3H2,1H3,(H,11,12,13);4-5H,2-3,10H2,1H3,(H,11,12,13);2,4H,3H2,1H3,(H,10,11,12);2-3H,4H2,1H3,(H2,9,13,14)(H,10,11,12);2,4H,3,9H2,1H3,(H,10,11,12);2-3H,4H2,1H3,(H,9,10,11)(H,12,13,14);2-3,12H,4H2,1H3,(H,9,10,11)
InChIKeyVMCSDTRRDPPVPC-UHFFFAOYSA-N
MW1608.56 g/mol
LogP9.70
Rot. Bonds12

About 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine

6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine (PubChem CID 161336649) has the molecular formula C68H77Br2N27O5S3 and a molecular weight of 1608.56 g/mol. Its IUPAC name is 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine
PubChem CID161336649
Molecular FormulaC68H77Br2N27O5S3
Molecular Weight1608.56 g/mol
Exact Mass1605.41
IUPAC Name6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine
SMILESC#CCc1cnc2nc(C)[nH]c2c1.Cc1nc2ncc(CBr)cc2[nH]1.Cc1nc2ncc(CCBr)cc2[nH]1.Cc1nc2ncc(CCN)cc2[nH]1.Cc1nc2ncc(CN)cc2[nH]1.Cc1nc2ncc(CS(=O)(=O)O)cc2[nH]1.Cc1nc2ncc(CS(N)(=O)=O)cc2[nH]1.Cc1nc2ncc(CS)cc2[nH]1
InChIInChI=1S/C10H9N3.C9H10BrN3.C9H12N4.C8H8BrN3.C8H10N4O2S.C8H10N4.C8H9N3O3S.C8H9N3S/c1-3-4-8-5-9-10(11-6-8)13-7(2)12-9;2*1-6-12-8-4-7(2-3-10)5-11-9(8)13-6;1-5-11-7-2-6(3-9)4-10-8(7)12-5;1-5-11-7-2-6(4-15(9,13)14)3-10-8(7)12-5;1-5-11-7-2-6(3-9)4-10-8(7)12-5;1-5-10-7-2-6(4-15(12,13)14)3-9-8(7)11-5;1-5-10-7-2-6(4-12)3-9-8(7)11-5/h1,5-6H,4H2,2H3,(H,11,12,13);4-5H,2-3H2,1H3,(H,11,12,13);4-5H,2-3,10H2,1H3,(H,11,12,13);2,4H,3H2,1H3,(H,10,11,12);2-3H,4H2,1H3,(H2,9,13,14)(H,10,11,12);2,4H,3,9H2,1H3,(H,10,11,12);2-3H,4H2,1H3,(H,9,10,11)(H,12,13,14);2-3,12H,4H2,1H3,(H,9,10,11)
InChIKeyVMCSDTRRDPPVPC-UHFFFAOYSA-N
XLogP9.70
TPSA499.13 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001608.56
LogP ≤ 59.70
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

12-Bromo-3-[4-(diethylamino)piperidin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-bromo-3-(4-ethylpiperazin-1-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-bromo-3-[(1-ethylpiperidin-4-yl)amino]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-bromo-3-[4-(2-methylsulfonylethyl)piperazin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-bromo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 161240221
3-(6,7-dihydro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;N-(1-methylsulfonylpiperidin-3-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 158498087
5-amino-4-ethylpyridine-2-carbonitrile;N-[6-(aminomethyl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;6-bromo-4-ethylpyridin-3-amine;4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]pyridine-2-carbonitrile;4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]pyridine-2-carbonitrile;N-[[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]methyl]methanesulfonamide;N-[[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]methyl]-N-methylmethanesulfonamide
CID 160364478

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine (CID 161336649) is 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine is C#CCc1cnc2nc(C)[nH]c2c1.Cc1nc2ncc(CBr)cc2[nH]1.Cc1nc2ncc(CCBr)cc2[nH]1.Cc1nc2ncc(CCN)cc2[nH]1.Cc1nc2ncc(CN)cc2[nH]1.Cc1nc2ncc(CS(=O)(=O)O)cc2[nH]1.Cc1nc2ncc(CS(N)(=O)=O)cc2[nH]1.Cc1nc2ncc(CS)cc2[nH]1.
What is the InChIKey of 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is VMCSDTRRDPPVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.C9H10BrN3.C9H12N4.C8H8BrN3.C8H10N4O2S.C8H10N4.C8H9N3O3S.C8H9N3S/c1-3-4-8-5-9-10(11-6-8)13-7(2)12-9;2*1-6-12-8-4-7(2-3-10)5-11-9(8)13-6;1-5-11-7-2-6(3-9)4-10-8(7)12-5;1-5-11-7-2-6(4-15(9,13)14)3-10-8(7)12-5;1-5-11-7-2-6(3-9)4-10-8(7)12-5;1-5-10-7-2-6(4-15(12,13)14)3-9-8(7)11-5;1-5-10-7-2-6(4-12)3-9-8(7)11-5/h1,5-6H,4H2,2H3,(H,11,12,13);4-5H,2-3H2,1H3,(H,11,12,13);4-5H,2-3,10H2,1H3,(H,11,12,13);2,4H,3H2,1H3,(H,10,11,12);2-3H,4H2,1H3,(H2,9,13,14)(H,10,11,12);2,4H,3,9H2,1H3,(H,10,11,12);2-3H,4H2,1H3,(H,9,10,11)(H,12,13,14);2-3,12H,4H2,1H3,(H,9,10,11).
What are the key properties of 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine?
6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 1608.56 g/mol, XLogP of 9.70, 12 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;6-(bromomethyl)-2-methyl-1H-imidazo[4,5-b]pyridine;2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanamine;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonamide;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanesulfonic acid;(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanethiol;2-methyl-6-prop-2-ynyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 161336649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).