5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline

C119H104F3N17OS — CID 160900770

IUPAC5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
SMILESCc1cc(-c2ncc(NC3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccccn3)cc2-c2ccc3nccnc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCCN4CCOCC4)c3c2)c1
InChIInChI=1S/C26H20FN5.C26H28N4O.C25H25FN4S.C21H15FN2.C21H16N2/c1-17-12-19(5-7-23(17)27)26-22(18-6-8-24-25(13-18)30-11-10-29-24)14-21(16-32-26)31-15-20-4-2-3-9-28-20;1-20-5-2-6-22(17-20)26-23(7-3-10-27-26)21-8-9-24-25(18-21)30(19-28-24)12-4-11-29-13-15-31-16-14-29;1-16-11-18(3-5-22(16)26)25-21(17-4-6-23-24(12-17)31-15-28-23)13-20(14-27-25)29-19-7-9-30(2)10-8-19;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17/h2-14,16,31H,15H2,1H3;2-3,5-10,17-19H,4,11-16H2,1H3;3-6,11-15,19,29H,7-10H2,1-2H3;2-13H,1H3;2-14H,1H3
InChIKeySPLWOTYSUIUCTL-UHFFFAOYSA-N
MW1877.32 g/mol
LogP27.27
Rot. Bonds19

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline (PubChem CID 160900770) has the molecular formula C119H104F3N17OS and a molecular weight of 1877.32 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
PubChem CID160900770
Molecular FormulaC119H104F3N17OS
Molecular Weight1877.32 g/mol
Exact Mass1875.83
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
SMILESCc1cc(-c2ncc(NC3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccccn3)cc2-c2ccc3nccnc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCCN4CCOCC4)c3c2)c1
InChIInChI=1S/C26H20FN5.C26H28N4O.C25H25FN4S.C21H15FN2.C21H16N2/c1-17-12-19(5-7-23(17)27)26-22(18-6-8-24-25(13-18)30-11-10-29-24)14-21(16-32-26)31-15-20-4-2-3-9-28-20;1-20-5-2-6-22(17-20)26-23(7-3-10-27-26)21-8-9-24-25(18-21)30(19-28-24)12-4-11-29-13-15-31-16-14-29;1-16-11-18(3-5-22(16)26)25-21(17-4-6-23-24(12-17)31-15-28-23)13-20(14-27-25)29-19-7-9-30(2)10-8-19;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17/h2-14,16,31H,15H2,1H3;2-3,5-10,17-19H,4,11-16H2,1H3;3-6,11-15,19,29H,7-10H2,1-2H3;2-13H,1H3;2-14H,1H3
InChIKeySPLWOTYSUIUCTL-UHFFFAOYSA-N
XLogP27.27
TPSA199.38 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.32
LogP ≤ 527.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline with MolForge

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)-6-(8-pyridin-4-ylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
CID 134136236
6-(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine;N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]-1,3-benzothiazol-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(2,4,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 159999874
7-fluoro-4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-piperazin-1-yl-6-pyridin-3-ylquinazolin-7-yl]-1,3-benzothiazol-2-amine
CID 164904507
7-Fluoro-4-[8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperazin-1-yl-6-pyridin-3-ylquinazolin-7-yl]-1,3-benzothiazol-2-amine
CID 174205428
7-Fluoro-4-(8-fluoro-2-methoxy-4-piperazin-1-yl-6-pyridin-3-ylquinazolin-7-yl)-1,3-benzothiazol-2-amine
CID 164903989
2-[5-(3,4-dihydro-2H-quinolin-1-yl)-4-isoquinolin-1-yl-8-(1H-pyrrol-2-yl)-6-quinolin-2-yl-2-quinoxalin-2-ylquinazolin-7-yl]-1,3-benzothiazole
CID 141145271
7-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline;6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2,4-dimethyl-1,3-benzothiazole
CID 157134590
2-Benzo[c]phenanthren-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine;6-(6-benzo[c]phenanthren-2-yl-2-pyridinyl)-1-methylbenzimidazole;6-(3-benzo[c]phenanthren-2-yl-5-quinolin-6-ylphenyl)quinoline;6-[3-[2-[3-(1,3-benzothiazol-6-yl)phenyl]benzo[c]phenanthren-7-yl]phenyl]-1,3-benzothiazole;2-(6-chrysen-2-ylisoquinolin-8-yl)-1,10-phenanthroline;2-(2-chrysen-2-ylpyrimidin-4-yl)-1,10-phenanthroline;4-phenyl-2-[16-(4-phenyl-2-pyridinyl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl]pyridine;2-pyridin-2-yl-4-[13-(4-pyridin-2-yl-1,3,5-triazin-2-yl)-9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl]-1,3,5-triazine
CID 157372052
CID 157747068
CID 157747068
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]methanesulfonamide;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)-3-pyridinyl]methanesulfonamide;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-2-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]methanesulfonamide;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
CID 158396512
1,1'-Biphenyl;2-but-2-en-2-yl-1,3-benzothiazole;2-but-2-en-2-yl-1-phenylbenzimidazole;1,2-diphenylethenylbenzene;ethane;3-methylacridine;9-methylacridine;bis(1-methylnaphthalene);bis(2-methylnaphthalene);2-methylpyrazine;2-methylpyridine;1-phenylprop-1-enylbenzene;prop-1-enylbenzene;1-prop-1-enylnaphthalene;toluene
CID 158530983
2-Phenyl-4-pyridin-4-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(4-triphenylen-2-ylphenyl)-1,3,5-triazine;2-[3-pyridin-2-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine;2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine;2-pyridin-4-yl-4-(4-triphenylen-2-ylphenyl)pyrimidine;7-(4-triphenylen-2-ylphenyl)benzo[f][1,10]phenanthroline;2-(4-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-[3-(4-triphenylen-2-ylphenyl)phenyl]pyridine;1-(4-triphenylen-2-ylphenyl)pyrrolo[2,3-b]pyridine;5-(4-triphenylen-2-ylphenyl)quinoline
CID 158726846

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline (CID 160900770) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline is Cc1cc(-c2ncc(NC3CCN(C)CC3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccccn3)cc2-c2ccc3nccnc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCCN4CCOCC4)c3c2)c1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The InChIKey is SPLWOTYSUIUCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5.C26H28N4O.C25H25FN4S.C21H15FN2.C21H16N2/c1-17-12-19(5-7-23(17)27)26-22(18-6-8-24-25(13-18)30-11-10-29-24)14-21(16-32-26)31-15-20-4-2-3-9-28-20;1-20-5-2-6-22(17-20)26-23(7-3-10-27-26)21-8-9-24-25(18-21)30(19-28-24)12-4-11-29-13-15-31-16-14-29;1-16-11-18(3-5-22(16)26)25-21(17-4-6-23-24(12-17)31-15-28-23)13-20(14-27-25)29-19-7-9-30(2)10-8-19;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17/h2-14,16,31H,15H2,1H3;2-3,5-10,17-19H,4,11-16H2,1H3;3-6,11-15,19,29H,7-10H2,1-2H3;2-13H,1H3;2-14H,1H3.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline has a molecular weight of 1877.32 g/mol, XLogP of 27.27, 19 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(1-methylpiperidin-4-yl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-(4-fluoro-3-methylphenyl)-N-(pyridin-2-ylmethyl)-5-quinoxalin-6-ylpyridin-3-amine;4-[3-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]propyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline is sourced from PubChem (CID 160900770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).