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

C80H56F7N11OS3 — CID 159243843

IUPACN-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4N)c3c2)ccc1F.Fc1cc(F)cc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1F
InChIInChI=1S/C26H26FN5O.3C18H10F2N2S/c1-16-13-18(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;19-14-5-1-3-13(17(14)20)18-12(4-2-8-21-18)11-6-7-15-16(9-11)23-10-22-15;19-14-5-3-12(8-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16;19-13-6-12(7-14(20)9-13)18-15(2-1-5-21-18)11-3-4-16-17(8-11)23-10-22-16/h4-5,8-15,22-23H,2-3,6-7,28H2,1H3,(H,31,33);3*1-10H/t22-,23-;;;/m1.../s1
InChIKeyKUKVCEKSZSTMEB-ZZJJLSIJSA-N
MW1416.59 g/mol
LogP20.42
Rot. Bonds10

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

N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 159243843) has the molecular formula C80H56F7N11OS3 and a molecular weight of 1416.59 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID159243843
Molecular FormulaC80H56F7N11OS3
Molecular Weight1416.59 g/mol
Exact Mass1415.37
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4N)c3c2)ccc1F.Fc1cc(F)cc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1F
InChIInChI=1S/C26H26FN5O.3C18H10F2N2S/c1-16-13-18(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;19-14-5-1-3-13(17(14)20)18-12(4-2-8-21-18)11-6-7-15-16(9-11)23-10-22-15;19-14-5-3-12(8-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16;19-13-6-12(7-14(20)9-13)18-15(2-1-5-21-18)11-3-4-16-17(8-11)23-10-22-16/h4-5,8-15,22-23H,2-3,6-7,28H2,1H3,(H,31,33);3*1-10H/t22-,23-;;;/m1.../s1
InChIKeyKUKVCEKSZSTMEB-ZZJJLSIJSA-N
XLogP20.42
TPSA162.65 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.59
LogP ≤ 520.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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

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Related Compounds

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
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
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
CID 157912380
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
N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-isocyanobenzamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-3-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide
CID 158171792
5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-3-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
CID 158747259
5-benzyl-3-fluoro-8-(1H-indol-5-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-3-fluoro-8-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-3-fluoro-8-(4-piperazin-1-ylphenyl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-3-fluoro-8-[4-(1H-pyrazol-4-yl)phenyl]-11H-benzo[b][1,4]benzodiazepin-6-one;3-fluoro-5-phenyl-8-(4-piperazin-1-ylphenyl)-11H-benzo[b][1,4]benzodiazepin-6-one;3-fluoro-8-(4-piperazin-1-ylphenyl)-5-(pyridin-3-ylmethyl)-11H-benzo[b][1,4]benzodiazepin-6-one;3-fluoro-8-(4-piperazin-1-ylphenyl)-5-(1,3-thiazol-2-ylmethyl)-11H-benzo[b][1,4]benzodiazepin-6-one
CID 158795924
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-isocyanobenzamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-3-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-4-carboxamide;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine
CID 158912841
4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethyl-2-fluorobenzamide;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-propan-2-ylbenzamide;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;7-fluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;8-fluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;8-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole
CID 159304780
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one
CID 159389989
N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-3-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide
CID 159453612

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole (CID 159243843) is N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole is Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)N[C@@H]4CCCC[C@H]4N)c3c2)ccc1F.Fc1cc(F)cc(-c2ncccc2-c2ccc3ncsc3c2)c1.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1F.Fc1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1F.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is KUKVCEKSZSTMEB-ZZJJLSIJSA-N. The full InChI is InChI=1S/C26H26FN5O.3C18H10F2N2S/c1-16-13-18(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;19-14-5-1-3-13(17(14)20)18-12(4-2-8-21-18)11-6-7-15-16(9-11)23-10-22-15;19-14-5-3-12(8-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16;19-13-6-12(7-14(20)9-13)18-15(2-1-5-21-18)11-3-4-16-17(8-11)23-10-22-16/h4-5,8-15,22-23H,2-3,6-7,28H2,1H3,(H,31,33);3*1-10H/t22-,23-;;;/m1.../s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole?
N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 1416.59 g/mol, XLogP of 20.42, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,3-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,5-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 159243843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).