2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate

C127H127FN22O11S5 — CID 167645555

IUPAC2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCNC(=O)c1ccn2c(C3CCCC(NC(=O)c4ccc(C)s4)C3)c(-c3ccccc3)nc2c1.CNC(=O)c1cnc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.COC(=O)c1ccc2c(n1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)s2)C1.COC(=O)c1ccc2c(n1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2cccs2)C1.Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cnc(F)cc43)C2)s1
InChIInChI=1S/C27H28N4O2S.C26H26N4O3S.C25H26N6O2S.C25H24N4O3S.C24H23FN4OS/c1-17-11-12-22(34-17)27(33)29-21-10-6-9-19(15-21)25-24(18-7-4-3-5-8-18)30-23-16-20(26(32)28-2)13-14-31(23)25;1-16-9-12-23(34-16)22(31)15-17-6-5-7-18(14-17)30-21-11-10-20(26(32)33-2)28-24(21)29-25(30)19-8-3-4-13-27-19;1-15-9-10-21(34-15)25(33)29-17-6-5-7-18(13-17)31-22-20(12-16(14-28-22)24(32)26-2)30-23(31)19-8-3-4-11-27-19;1-32-25(31)19-10-11-20-23(27-19)28-24(18-8-2-3-12-26-18)29(20)17-7-4-6-16(14-17)15-21(30)22-9-5-13-33-22;1-15-8-9-22(31-15)21(30)12-16-5-4-6-17(11-16)29-20-13-23(25)27-14-19(20)28-24(29)18-7-2-3-10-26-18/h3-5,7-8,11-14,16,19,21H,6,9-10,15H2,1-2H3,(H,28,32)(H,29,33);3-4,8-13,17-18H,5-7,14-15H2,1-2H3;3-4,8-12,14,17-18H,5-7,13H2,1-2H3,(H,26,32)(H,29,33);2-3,5,8-13,16-17H,4,6-7,14-15H2,1H3;2-3,7-10,13-14,16-17H,4-6,11-12H2,1H3/t;2*17-,18+;2*16-,17+/m.0111/s1
InChIKeyPUXVPPPHHRNWNB-IATHRXFBSA-N
MW2316.89 g/mol
LogP26.33
Rot. Bonds27

About 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate

2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate (PubChem CID 167645555) has the molecular formula C127H127FN22O11S5 and a molecular weight of 2316.89 g/mol. Its IUPAC name is 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate
PubChem CID167645555
Molecular FormulaC127H127FN22O11S5
Molecular Weight2316.89 g/mol
Exact Mass2314.86
IUPAC Name2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate
SMILESCNC(=O)c1ccn2c(C3CCCC(NC(=O)c4ccc(C)s4)C3)c(-c3ccccc3)nc2c1.CNC(=O)c1cnc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.COC(=O)c1ccc2c(n1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)s2)C1.COC(=O)c1ccc2c(n1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2cccs2)C1.Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cnc(F)cc43)C2)s1
InChIInChI=1S/C27H28N4O2S.C26H26N4O3S.C25H26N6O2S.C25H24N4O3S.C24H23FN4OS/c1-17-11-12-22(34-17)27(33)29-21-10-6-9-19(15-21)25-24(18-7-4-3-5-8-18)30-23-16-20(26(32)28-2)13-14-31(23)25;1-16-9-12-23(34-16)22(31)15-17-6-5-7-18(14-17)30-21-11-10-20(26(32)33-2)28-24(21)29-25(30)19-8-3-4-13-27-19;1-15-9-10-21(34-15)25(33)29-17-6-5-7-18(13-17)31-22-20(12-16(14-28-22)24(32)26-2)30-23(31)19-8-3-4-11-27-19;1-32-25(31)19-10-11-20-23(27-19)28-24(18-8-2-3-12-26-18)29(20)17-7-4-6-16(14-17)15-21(30)22-9-5-13-33-22;1-15-8-9-22(31-15)21(30)12-16-5-4-6-17(11-16)29-20-13-23(25)27-14-19(20)28-24(29)18-7-2-3-10-26-18/h3-5,7-8,11-14,16,19,21H,6,9-10,15H2,1-2H3,(H,28,32)(H,29,33);3-4,8-13,17-18H,5-7,14-15H2,1-2H3;3-4,8-12,14,17-18H,5-7,13H2,1-2H3,(H,26,32)(H,29,33);2-3,5,8-13,16-17H,4,6-7,14-15H2,1H3;2-3,7-10,13-14,16-17H,4-6,11-12H2,1H3/t;2*17-,18+;2*16-,17+/m.0111/s1
InChIKeyPUXVPPPHHRNWNB-IATHRXFBSA-N
XLogP26.33
TPSA411.91 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002316.89
LogP ≤ 526.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate with MolForge

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Related Compounds

CID 157721749
CID 157721749
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
Methyl 4-amino-1-[[1-(aminomethyl)pyrrol-3-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-1-[[3-(aminomethyl)pyrrol-1-yl]methyl]-2-butylimidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-fluorophenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(2-phenylethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyridin-4-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(pyrrol-1-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-(thiophen-2-ylmethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 157076656
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
2-(4-chlorophenyl)-8-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;5-[4-(4-chlorophenyl)thiophen-2-yl]-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate;methane;5-(3-methylphenyl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine;5-(3-phenylthiophen-2-yl)-2-piperidin-3-ylimidazo[1,2-a]pyrazin-8-amine;5-(4-phenylthiophen-2-yl)-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-amine
CID 157328725
N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-piperazin-1-yl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]acetamide
CID 158093791
N-(1-cyclobutylethyl)-4-methyl-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-3-methylbutyl)-4-ethyl-2-(4-fluorophenoxy)imidazo[1,5-a]pyrimidine-8-carboxamide;4-ethyl-N-(4-propoxycyclohexyl)-2-thiophen-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(furan-2-yl)-4-methyl-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-(4-propan-2-yloxyphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-(4-propoxycyclohexyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158227371
CID 160386853
CID 160386853
tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 160817364
N-benzyl-2-propan-2-ylpyridine-3-carboxamide;2,3-di(propan-2-yl)pyrazine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;4-(methoxymethyl)-2-phenyl-6-propan-2-ylpyrimidine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;9-[(5-methylpyrazin-2-yl)methyl]-6-propan-2-ylpurine;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine
CID 161487012
CID 161585753
CID 161585753
N-benzyl-2-propan-2-ylpyridine-3-carboxamide;4,5-di(propan-2-yl)pyrimidine;ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate;ethyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;8-(3-isocyanophenyl)-9-methyl-6-propan-2-ylpurine;6-methyl-2-propan-2-ylpyridine-3-carboxamide;morpholin-4-yl-(2-propan-2-yl-3-pyridinyl)methanone;9-(oxan-2-yl)-6-propan-2-ylpurine;2-propan-2-yl-1,3-benzothiazole;(6-propan-2-yl-3-pyridinyl)-pyridin-2-ylmethanone;6-propan-2-ylpyrimidin-4-amine
CID 161910812

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate?
The IUPAC name of 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate (CID 167645555) is 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate.
What is the SMILES notation for 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate?
The canonical SMILES for 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate is CNC(=O)c1ccn2c(C3CCCC(NC(=O)c4ccc(C)s4)C3)c(-c3ccccc3)nc2c1.CNC(=O)c1cnc2c(c1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1.COC(=O)c1ccc2c(n1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](CC(=O)c2ccc(C)s2)C1.COC(=O)c1ccc2c(n1)nc(-c1ccccn1)n2[C@H]1CCC[C@@H](CC(=O)c2cccs2)C1.Cc1ccc(C(=O)C[C@@H]2CCC[C@H](n3c(-c4ccccn4)nc4cnc(F)cc43)C2)s1.
What is the InChIKey of 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate?
The InChIKey is PUXVPPPHHRNWNB-IATHRXFBSA-N. The full InChI is InChI=1S/C27H28N4O2S.C26H26N4O3S.C25H26N6O2S.C25H24N4O3S.C24H23FN4OS/c1-17-11-12-22(34-17)27(33)29-21-10-6-9-19(15-21)25-24(18-7-4-3-5-8-18)30-23-16-20(26(32)28-2)13-14-31(23)25;1-16-9-12-23(34-16)22(31)15-17-6-5-7-18(14-17)30-21-11-10-20(26(32)33-2)28-24(21)29-25(30)19-8-3-4-13-27-19;1-15-9-10-21(34-15)25(33)29-17-6-5-7-18(13-17)31-22-20(12-16(14-28-22)24(32)26-2)30-23(31)19-8-3-4-11-27-19;1-32-25(31)19-10-11-20-23(27-19)28-24(18-8-2-3-12-26-18)29(20)17-7-4-6-16(14-17)15-21(30)22-9-5-13-33-22;1-15-8-9-22(31-15)21(30)12-16-5-4-6-17(11-16)29-20-13-23(25)27-14-19(20)28-24(29)18-7-2-3-10-26-18/h3-5,7-8,11-14,16,19,21H,6,9-10,15H2,1-2H3,(H,28,32)(H,29,33);3-4,8-13,17-18H,5-7,14-15H2,1-2H3;3-4,8-12,14,17-18H,5-7,13H2,1-2H3,(H,26,32)(H,29,33);2-3,5,8-13,16-17H,4,6-7,14-15H2,1H3;2-3,7-10,13-14,16-17H,4-6,11-12H2,1H3/t;2*17-,18+;2*16-,17+/m.0111/s1.
What are the key properties of 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate?
2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate has a molecular weight of 2316.89 g/mol, XLogP of 26.33, 27 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-(6-fluoro-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl)cyclohexyl]-1-(5-methylthiophen-2-yl)ethanone;N-methyl-3-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide;N-methyl-3-[(1S,3R)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxamide;methyl 1-[(1R,3S)-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate;methyl 1-[(1S,3R)-3-(2-oxo-2-thiophen-2-ylethyl)cyclohexyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine-5-carboxylate is sourced from PubChem (CID 167645555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).