6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

C107H87F5N16O2S3 — CID 159384819

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC4CCN(C)CC4)n3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1
InChIInChI=1S/C27H28FN5O.C26H26FN5O.3C18H11FN2S/c1-18-14-20(5-7-23(18)28)26-22(4-3-11-29-26)21-6-8-25-30-16-24(33(25)17-21)27(34)31-15-19-9-12-32(2)13-10-19;1-17-14-18(5-7-22(17)27)25-21(4-3-11-28-25)19-6-8-24-29-15-23(32(24)16-19)26(33)30-20-9-12-31(2)13-10-20;19-14-4-1-3-13(9-14)18-15(5-2-8-20-18)12-6-7-16-17(10-12)22-11-21-16;19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3-8,11,14,16-17,19H,9-10,12-13,15H2,1-2H3,(H,31,34);3-8,11,14-16,20H,9-10,12-13H2,1-2H3,(H,30,33);3*1-11H
InChIKeyLLJBMRFNZOFQLW-UHFFFAOYSA-N
MW1820.17 g/mol
LogP24.41
Rot. Bonds15

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 159384819) has the molecular formula C107H87F5N16O2S3 and a molecular weight of 1820.17 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID159384819
Molecular FormulaC107H87F5N16O2S3
Molecular Weight1820.17 g/mol
Exact Mass1818.63
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC4CCN(C)CC4)n3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1
InChIInChI=1S/C27H28FN5O.C26H26FN5O.3C18H11FN2S/c1-18-14-20(5-7-23(18)28)26-22(4-3-11-29-26)21-6-8-25-30-16-24(33(25)17-21)27(34)31-15-19-9-12-32(2)13-10-19;1-17-14-18(5-7-22(17)27)25-21(4-3-11-28-25)19-6-8-24-29-15-23(32(24)16-19)26(33)30-20-9-12-31(2)13-10-20;19-14-4-1-3-13(9-14)18-15(5-2-8-20-18)12-6-7-16-17(10-12)22-11-21-16;19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3-8,11,14,16-17,19H,9-10,12-13,15H2,1-2H3,(H,31,34);3-8,11,14-16,20H,9-10,12-13H2,1-2H3,(H,30,33);3*1-11H
InChIKeyLLJBMRFNZOFQLW-UHFFFAOYSA-N
XLogP24.41
TPSA202.40 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001820.17
LogP ≤ 524.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole with MolForge

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Related Compounds

6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(pyrimidin-5-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(3,5,7-trimethyl-1H-indol-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 158331132
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2,2,2-trifluoroethyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(3,3,3-trifluoropropyl)purin-7-yl]propanamide;N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]acetamide
CID 158692632
3-amino-5-[5-fluoro-4-[(2R)-2-[1-(2,2,2-trifluoroethylamino)ethenyl]pyrrolidin-1-yl]pyrimidin-2-yl]-1H-pyridin-2-one;(2R)-2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[2-(1,3-benzothiazol-6-yl)-5-fluoropyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide;(2R)-1-[2-[5-(2,5-dihydropyrrole-1-carbonyl)-1H-pyrrol-3-yl]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
CID 158757397
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-methyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 158823390
Cyclopropylmethyl 6-[2-(methylcarbamoylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;(4,4-difluorocyclohexyl) 6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)imidazo[1,2-a]pyridin-6-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate;oxan-4-yl 6-[2-(methylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 159257352
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159275399
N-(3-bromo-6-phenylimidazo[1,2-a]pyrazin-8-yl)acetamide;3-bromo-6-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;1-[6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 159723281
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-(2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(3-oxopiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[4-ethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 159736884
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159972431

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole (CID 159384819) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCN(C)CC4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC4CCN(C)CC4)n3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccccc1-c1ncccc1-c1ccc2ncsc2c1.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is LLJBMRFNZOFQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O.C26H26FN5O.3C18H11FN2S/c1-18-14-20(5-7-23(18)28)26-22(4-3-11-29-26)21-6-8-25-30-16-24(33(25)17-21)27(34)31-15-19-9-12-32(2)13-10-19;1-17-14-18(5-7-22(17)27)25-21(4-3-11-28-25)19-6-8-24-29-15-23(32(24)16-19)26(33)30-20-9-12-31(2)13-10-20;19-14-4-1-3-13(9-14)18-15(5-2-8-20-18)12-6-7-16-17(10-12)22-11-21-16;19-14-6-3-12(4-7-14)18-15(2-1-9-20-18)13-5-8-16-17(10-13)22-11-21-16;19-15-6-2-1-4-14(15)18-13(5-3-9-20-18)12-7-8-16-17(10-12)22-11-21-16/h3-8,11,14,16-17,19H,9-10,12-13,15H2,1-2H3,(H,31,34);3-8,11,14-16,20H,9-10,12-13H2,1-2H3,(H,30,33);3*1-11H.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 1820.17 g/mol, XLogP of 24.41, 15 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 159384819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).