N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole

C107H84F8N16O2S3 — CID 158165558

IUPACN-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CCCC[C@@H]4N)c3c2)ccc1F.Cc1ccc(F)c(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(F)c1F.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)c(F)c1
InChIInChI=1S/2C26H26FN5O.C19H13FN2S.C18H9F3N2S.C18H10F2N2S/c2*1-16-13-18(8-9-21(16)27)25-19(5-4-11-29-25)17-10-12-32-24(14-17)20(15-30-32)26(33)31-23-7-3-2-6-22(23)28;1-12-4-6-16(20)15(9-12)19-14(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17;19-13-6-11(7-14(20)17(13)21)18-12(2-1-5-22-18)10-3-4-15-16(8-10)24-9-23-15;19-12-4-5-14(15(20)9-12)18-13(2-1-7-21-18)11-3-6-16-17(8-11)23-10-22-16/h2*4-5,8-15,22-23H,2-3,6-7,28H2,1H3,(H,31,33);2-11H,1H3;1-9H;1-10H/t2*22-,23-;;;/m10.../s1
InChIKeyFWUKMYNFRPDOHB-MZHFFEIOSA-N
MW1874.14 g/mol
LogP25.24
Rot. Bonds14

About N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole

N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 158165558) has the molecular formula C107H84F8N16O2S3 and a molecular weight of 1874.14 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID158165558
Molecular FormulaC107H84F8N16O2S3
Molecular Weight1874.14 g/mol
Exact Mass1872.60
IUPAC NameN-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CCCC[C@@H]4N)c3c2)ccc1F.Cc1ccc(F)c(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(F)c1F.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)c(F)c1
InChIInChI=1S/2C26H26FN5O.C19H13FN2S.C18H9F3N2S.C18H10F2N2S/c2*1-16-13-18(8-9-21(16)27)25-19(5-4-11-29-25)17-10-12-32-24(14-17)20(15-30-32)26(33)31-23-7-3-2-6-22(23)28;1-12-4-6-16(20)15(9-12)19-14(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17;19-13-6-11(7-14(20)17(13)21)18-12(2-1-5-22-18)10-3-4-15-16(8-10)24-9-23-15;19-12-4-5-14(15(20)9-12)18-13(2-1-7-21-18)11-3-6-16-17(8-11)23-10-22-16/h2*4-5,8-15,22-23H,2-3,6-7,28H2,1H3,(H,31,33);2-11H,1H3;1-9H;1-10H/t2*22-,23-;;;/m10.../s1
InChIKeyFWUKMYNFRPDOHB-MZHFFEIOSA-N
XLogP25.24
TPSA247.96 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.14
LogP ≤ 525.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole with MolForge

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Related Compounds

3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylbenzamide;3-tert-butyl-N-(2-methoxyethyl)benzamide;3-tert-butyl-N-methylbenzamide;3-(4-tert-butylphenyl)-2,6-dimethylpyridine;3-(4-tert-butylphenyl)-4-methylpyridine;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 158905619
3-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;N-ethyl-2-fluoro-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-N-methyl-4-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159522818
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 159798628
4-methyl-N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(6-methyl-3-pyridinyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]pyridazine-3-carboxamide
CID 160640351
bis(5-amino-3,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide);5-amino-3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(3-phenylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-phenylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-methylbenzamide;5-amino-N-[1-(3-ethylphenyl)sulfonylpyrrolidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 157202641
N-[[2-fluoro-4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;bis(N-[[2-fluoro-4-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide);N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[4-[[3-(3-fluoro-4-isocyanophenyl)-4-isocyano-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide;N-[[4-[[3-isocyano-4-(4-isocyano-3-methylphenyl)-2,5-dimethylpyrrol-1-yl]methyl]phenyl]methyl]pyridine-2-carboxamide
CID 157207884
1-(4-fluorophenyl)-N-[(1S)-1-[2-[(S)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-[2-[(R)-methylsulfinyl]-4-pyridinyl]propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157215052
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
CID 157392108
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157487129
3-amino-N-[2-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-(2-methyl-4-pyridinyl)-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[3-[1-(oxan-4-yl)pyrazol-4-yl]-4-piperidin-1-ylphenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide;3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 157487525
1-(4-fluorophenyl)-N-[(1R)-1-(1-methyl-4-methylsulfonylpyrrol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-1H-pyrrol-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-1,3-thiazol-4-yl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1,2,2,2-tetradeuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-2,2,2-trideuterio-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 157505280
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3-fluoro-3-methylazetidine-1-carbonyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 157861182

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole (CID 158165558) is N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole is Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@H]4CCCC[C@@H]4N)c3c2)ccc1F.Cc1ccc(F)c(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1cc(-c2ncccc2-c2ccc3ncsc3c2)cc(F)c1F.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)c(F)c1.
What is the InChIKey of N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is FWUKMYNFRPDOHB-MZHFFEIOSA-N. The full InChI is InChI=1S/2C26H26FN5O.C19H13FN2S.C18H9F3N2S.C18H10F2N2S/c2*1-16-13-18(8-9-21(16)27)25-19(5-4-11-29-25)17-10-12-32-24(14-17)20(15-30-32)26(33)31-23-7-3-2-6-22(23)28;1-12-4-6-16(20)15(9-12)19-14(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17;19-13-6-11(7-14(20)17(13)21)18-12(2-1-5-22-18)10-3-4-15-16(8-10)24-9-23-15;19-12-4-5-14(15(20)9-12)18-13(2-1-7-21-18)11-3-6-16-17(8-11)23-10-22-16/h2*4-5,8-15,22-23H,2-3,6-7,28H2,1H3,(H,31,33);2-11H,1H3;1-9H;1-10H/t2*22-,23-;;;/m10.../s1.
What are the key properties of N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 1874.14 g/mol, XLogP of 25.24, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 158165558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).