2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate

C54H58Br2F3N21O5S — CID 158967696

IUPAC2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate
SMILESCC(CC(=O)c1cc2c(cn1)nc(N)n2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CCCCOC(=O)c1cc2c(cn1)nc(N)n2C.CNc1cc(Br)ncc1N.Cn1c(N)nc2cnc(Br)cc21.Cn1c(N)nc2cnc(C(=O)O)cc21
InChIInChI=1S/C21H19F3N6OS.C12H16N4O2.C8H8N4O2.C7H7BrN4.C6H8BrN3/c1-11(7-17(31)14-8-16-15(9-26-14)29-19(25)30(16)2)18-10-27-20(32-18)28-13-5-3-12(4-6-13)21(22,23)24;1-3-4-5-18-11(17)8-6-10-9(7-14-8)15-12(13)16(10)2;1-12-6-2-4(7(13)14)10-3-5(6)11-8(12)9;1-12-5-2-6(8)10-3-4(5)11-7(12)9;1-9-5-2-6(7)10-3-4(5)8/h3-6,8-11H,7H2,1-2H3,(H2,25,29)(H,27,28);6-7H,3-5H2,1-2H3,(H2,13,15);2-3H,1H3,(H2,9,11)(H,13,14);2-3H,1H3,(H2,9,11);2-3H,8H2,1H3,(H,9,10)
InChIKeyJNKKGWXEVFILGY-UHFFFAOYSA-N
MW1330.07 g/mol
LogP9.68
Rot. Bonds12

About 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate

2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 158967696) has the molecular formula C54H58Br2F3N21O5S and a molecular weight of 1330.07 g/mol. Its IUPAC name is 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID158967696
Molecular FormulaC54H58Br2F3N21O5S
Molecular Weight1330.07 g/mol
Exact Mass1327.30
IUPAC Name2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate
SMILESCC(CC(=O)c1cc2c(cn1)nc(N)n2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CCCCOC(=O)c1cc2c(cn1)nc(N)n2C.CNc1cc(Br)ncc1N.Cn1c(N)nc2cnc(Br)cc21.Cn1c(N)nc2cnc(C(=O)O)cc21
InChIInChI=1S/C21H19F3N6OS.C12H16N4O2.C8H8N4O2.C7H7BrN4.C6H8BrN3/c1-11(7-17(31)14-8-16-15(9-26-14)29-19(25)30(16)2)18-10-27-20(32-18)28-13-5-3-12(4-6-13)21(22,23)24;1-3-4-5-18-11(17)8-6-10-9(7-14-8)15-12(13)16(10)2;1-12-6-2-4(7(13)14)10-3-5(6)11-8(12)9;1-12-5-2-6(8)10-3-4(5)11-7(12)9;1-9-5-2-6(7)10-3-4(5)8/h3-6,8-11H,7H2,1-2H3,(H2,25,29)(H,27,28);6-7H,3-5H2,1-2H3,(H2,13,15);2-3H,1H3,(H2,9,11)(H,13,14);2-3H,1H3,(H2,9,11);2-3H,8H2,1H3,(H,9,10)
InChIKeyJNKKGWXEVFILGY-UHFFFAOYSA-N
XLogP9.68
TPSA383.45 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001330.07
LogP ≤ 59.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Related Compounds

butyl 1-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 2-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate;2-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid;1-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 158525920
methyl 2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetate;3H-pyrrolo[2,3-c]pyridine-5-carboxylic acid;2-[6-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethylcarbamoyl]imidazo[4,5-c]pyridin-1-yl]acetic acid;N-[1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethyl]-3H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 159744011
6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 160503218
3-Bromoimidazo[1,2-a]pyrazine-6-carboxylic acid;1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;butyl 3-bromoimidazo[1,2-a]pyrazine-6-carboxylate;butyl imidazo[1,2-a]pyrazine-6-carboxylate
CID 161526124
2-Bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride
CID 158231235
2-Bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;methyl 2-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride
CID 159418529
3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid;methyl 3-[(1R,3S)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylate
CID 167558680
5-bromothiophene-2-carboxylic acid;methyl 3-[(1R,3S)-3-aminocyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylate;methyl 3-[(1R,3S)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylate;hydrochloride
CID 167647078

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate (CID 158967696) is 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate is CC(CC(=O)c1cc2c(cn1)nc(N)n2C)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CCCCOC(=O)c1cc2c(cn1)nc(N)n2C.CNc1cc(Br)ncc1N.Cn1c(N)nc2cnc(Br)cc21.Cn1c(N)nc2cnc(C(=O)O)cc21.
What is the InChIKey of 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is JNKKGWXEVFILGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6OS.C12H16N4O2.C8H8N4O2.C7H7BrN4.C6H8BrN3/c1-11(7-17(31)14-8-16-15(9-26-14)29-19(25)30(16)2)18-10-27-20(32-18)28-13-5-3-12(4-6-13)21(22,23)24;1-3-4-5-18-11(17)8-6-10-9(7-14-8)15-12(13)16(10)2;1-12-6-2-4(7(13)14)10-3-5(6)11-8(12)9;1-12-5-2-6(8)10-3-4(5)11-7(12)9;1-9-5-2-6(7)10-3-4(5)8/h3-6,8-11H,7H2,1-2H3,(H2,25,29)(H,27,28);6-7H,3-5H2,1-2H3,(H2,13,15);2-3H,1H3,(H2,9,11)(H,13,14);2-3H,1H3,(H2,9,11);2-3H,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate?
2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 1330.07 g/mol, XLogP of 9.68, 12 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 158967696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).