3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride

C84H83ClN22O16S2 — CID 161053798

IUPAC3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride
SMILESCN1CCc2nc(N)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.COC(=O)c1cccc(CN)c1.COC(=O)c1cccc(CNC(=O)c2cn3cc(C(N)=O)ccc3n2)c1.Cl.NC(=O)c1ccc2nc(C(=O)NCc3cccc(C(=O)O)c3)cn2c1.NC(=O)c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C24H23N7O3S.C18H16N4O4.C17H14N4O4.C9H7N3O3.C9H11NO2.C7H11N3S.ClH/c1-30-8-7-17-19(13-30)35-24(28-17)29-22(33)15-4-2-3-14(9-15)10-26-23(34)18-12-31-11-16(21(25)32)5-6-20(31)27-18;1-26-18(25)12-4-2-3-11(7-12)8-20-17(24)14-10-22-9-13(16(19)23)5-6-15(22)21-14;18-15(22)12-4-5-14-20-13(9-21(14)8-12)16(23)19-7-10-2-1-3-11(6-10)17(24)25;10-8(13)5-1-2-7-11-6(9(14)15)4-12(7)3-5;1-12-9(11)8-4-2-3-7(5-8)6-10;1-10-3-2-5-6(4-10)11-7(8)9-5;/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,25,32)(H,26,34)(H,28,29,33);2-7,9-10H,8H2,1H3,(H2,19,23)(H,20,24);1-6,8-9H,7H2,(H2,18,22)(H,19,23)(H,24,25);1-4H,(H2,10,13)(H,14,15);2-5H,6,10H2,1H3;2-4H2,1H3,(H2,8,9);1H
InChIKeyIYRIYRMJDLMKJH-UHFFFAOYSA-N
MW1756.31 g/mol
LogP6.47
Rot. Bonds20

About 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride

3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride (PubChem CID 161053798) has the molecular formula C84H83ClN22O16S2 and a molecular weight of 1756.31 g/mol. Its IUPAC name is 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride
PubChem CID161053798
Molecular FormulaC84H83ClN22O16S2
Molecular Weight1756.31 g/mol
Exact Mass1754.55
IUPAC Name3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride
SMILESCN1CCc2nc(N)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.COC(=O)c1cccc(CN)c1.COC(=O)c1cccc(CNC(=O)c2cn3cc(C(N)=O)ccc3n2)c1.Cl.NC(=O)c1ccc2nc(C(=O)NCc3cccc(C(=O)O)c3)cn2c1.NC(=O)c1ccc2nc(C(=O)O)cn2c1
InChIInChI=1S/C24H23N7O3S.C18H16N4O4.C17H14N4O4.C9H7N3O3.C9H11NO2.C7H11N3S.ClH/c1-30-8-7-17-19(13-30)35-24(28-17)29-22(33)15-4-2-3-14(9-15)10-26-23(34)18-12-31-11-16(21(25)32)5-6-20(31)27-18;1-26-18(25)12-4-2-3-11(7-12)8-20-17(24)14-10-22-9-13(16(19)23)5-6-15(22)21-14;18-15(22)12-4-5-14-20-13(9-21(14)8-12)16(23)19-7-10-2-1-3-11(6-10)17(24)25;10-8(13)5-1-2-7-11-6(9(14)15)4-12(7)3-5;1-12-9(11)8-4-2-3-7(5-8)6-10;1-10-3-2-5-6(4-10)11-7(8)9-5;/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,25,32)(H,26,34)(H,28,29,33);2-7,9-10H,8H2,1H3,(H2,19,23)(H,20,24);1-6,8-9H,7H2,(H2,18,22)(H,19,23)(H,24,25);1-4H,(H2,10,13)(H,14,15);2-5H,6,10H2,1H3;2-4H2,1H3,(H2,8,9);1H
InChIKeyIYRIYRMJDLMKJH-UHFFFAOYSA-N
XLogP6.47
TPSA569.46 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.31
LogP ≤ 56.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride with MolForge

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Related Compounds

methyl 5-[2-[5-[[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[6-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridinyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-4-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[4-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]pyrimidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;methyl 5-[2-[5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazol-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 158027091
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide;N-(1,1-difluoroethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-methylphenyl)methyl]acetamide;methyl 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 161245393
tert-butyl 4-[4-[[[3-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]methyl]phenyl]piperazine-1-carboxylate;3-ethoxycarbonyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;8-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 157142478
8-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 157258002
N-(2-aminophenyl)-4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide;N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide;bis(benzene-1,2-diamine);1-bromo-2-(2-bromoethoxy)ethane;2-bromo-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;2-bromo-1-pyridin-3-ylethanone;methanol;methyl 4-(4-carbamothioyloxan-4-yl)benzoate;4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid;methyl 4-(isocyanomethyl)benzoate;methyl 4-(4-isocyanooxan-4-yl)benzoate;methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate;methyl 4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzoate;oxolane;4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzoic acid
CID 157274638
bis(N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide);2-bromo-1-imidazo[1,2-a]pyridin-3-ylpropan-1-one;ethanol;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzamide;imidazo[1,2-a]pyridine;4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)amino]-N-(oxan-2-yloxy)benzamide;1-imidazo[1,2-a]pyridin-3-ylpropan-1-one;molecular bromine;trichloroalumane
CID 157346302
3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid;N-(2-aminophenyl)-2-fluoro-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-3-fluoro-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-fluoro-N-methyl-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;3-fluoro-N-methyl-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 157406449
3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;methyl 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylic acid;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide;methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate;N-methyl-4-[[4-[2-methyl-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 157436734
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 158100230
CID 158280009
CID 158280009
tert-butyl N-[6-[[[3-[[2-(hydroxymethyl)-4-methylpentanoyl]amino]-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]methyl]-1,3-benzothiazol-2-yl]carbamate;tert-butyl N-[6-[[[3-[(4-methyl-2-methylidenepentanoyl)amino]-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]methyl]-1,3-benzothiazol-2-yl]carbamate;3-[[2-(hydroxymethyl)-4-methylpentanoyl]amino]-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;3-[(4-methyl-2-methylidenepentanoyl)amino]-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 158368868
3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)pyrazine-2-carboxamide;methane;methyl 3-amino-6-chloro-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate;methyl 3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylate
CID 158439771

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride?
The IUPAC name of 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride (CID 161053798) is 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride?
The canonical SMILES for 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride is CN1CCc2nc(N)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.COC(=O)c1cccc(CN)c1.COC(=O)c1cccc(CNC(=O)c2cn3cc(C(N)=O)ccc3n2)c1.Cl.NC(=O)c1ccc2nc(C(=O)NCc3cccc(C(=O)O)c3)cn2c1.NC(=O)c1ccc2nc(C(=O)O)cn2c1.
What is the InChIKey of 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride?
The InChIKey is IYRIYRMJDLMKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S.C18H16N4O4.C17H14N4O4.C9H7N3O3.C9H11NO2.C7H11N3S.ClH/c1-30-8-7-17-19(13-30)35-24(28-17)29-22(33)15-4-2-3-14(9-15)10-26-23(34)18-12-31-11-16(21(25)32)5-6-20(31)27-18;1-26-18(25)12-4-2-3-11(7-12)8-20-17(24)14-10-22-9-13(16(19)23)5-6-15(22)21-14;18-15(22)12-4-5-14-20-13(9-21(14)8-12)16(23)19-7-10-2-1-3-11(6-10)17(24)25;10-8(13)5-1-2-7-11-6(9(14)15)4-12(7)3-5;1-12-9(11)8-4-2-3-7(5-8)6-10;1-10-3-2-5-6(4-10)11-7(8)9-5;/h2-6,9,11-12H,7-8,10,13H2,1H3,(H2,25,32)(H,26,34)(H,28,29,33);2-7,9-10H,8H2,1H3,(H2,19,23)(H,20,24);1-6,8-9H,7H2,(H2,18,22)(H,19,23)(H,24,25);1-4H,(H2,10,13)(H,14,15);2-5H,6,10H2,1H3;2-4H2,1H3,(H2,8,9);1H.
What are the key properties of 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride?
3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride has a molecular weight of 1756.31 g/mol, XLogP of 6.47, 20 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoic acid;6-carbamoylimidazo[1,2-a]pyridine-2-carboxylic acid;methyl 3-(aminomethyl)benzoate;methyl 3-[[(6-carbamoylimidazo[1,2-a]pyridine-2-carbonyl)amino]methyl]benzoate;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide;hydrochloride is sourced from PubChem (CID 161053798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).