5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine

C120H80Cl5F6N21S — CID 159057650

IUPAC5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine
SMILESCc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncnc(C4CC4)c3c2)cc1Cl.Fc1ccccc1-c1ncccc1-c1ccncc1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(Cl)cc3Cl)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)ccc3Cl)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C25H19FN4S.C22H15ClFN3.C19H11Cl2FN4.2C19H12ClFN4.C16H11FN2/c1-16-10-19(2-4-22(16)26)25-21(18-3-5-23-24(11-18)31-15-30-23)12-20(14-29-25)28-13-17-6-8-27-9-7-17;23-18-11-15(5-7-19(18)24)22-16(2-1-9-25-22)14-6-8-20-17(10-14)21(13-3-4-13)27-12-26-20;20-14-8-15(21)16(22)7-12(14)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-16-5-4-12(21)9-14(16)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-9-12(3-5-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17;17-15-6-2-1-4-14(15)16-13(5-3-9-19-16)12-7-10-18-11-8-12/h2-12,14-15,28H,13H2,1H3;1-2,5-13H,3-4H2;1-9H,(H2,23,25,26);2*1-10H,(H2,22,24,25);1-11H
InChIKeyJYBGHHCMQWUDFR-UHFFFAOYSA-N
MW2139.43 g/mol
LogP31.31
Rot. Bonds16

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine (PubChem CID 159057650) has the molecular formula C120H80Cl5F6N21S and a molecular weight of 2139.43 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine
PubChem CID159057650
Molecular FormulaC120H80Cl5F6N21S
Molecular Weight2139.43 g/mol
Exact Mass2135.50
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine
SMILESCc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncnc(C4CC4)c3c2)cc1Cl.Fc1ccccc1-c1ncccc1-c1ccncc1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(Cl)cc3Cl)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)ccc3Cl)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C25H19FN4S.C22H15ClFN3.C19H11Cl2FN4.2C19H12ClFN4.C16H11FN2/c1-16-10-19(2-4-22(16)26)25-21(18-3-5-23-24(11-18)31-15-30-23)12-20(14-29-25)28-13-17-6-8-27-9-7-17;23-18-11-15(5-7-19(18)24)22-16(2-1-9-25-22)14-6-8-20-17(10-14)21(13-3-4-13)27-12-26-20;20-14-8-15(21)16(22)7-12(14)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-16-5-4-12(21)9-14(16)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-9-12(3-5-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17;17-15-6-2-1-4-14(15)16-13(5-3-9-19-16)12-7-10-18-11-8-12/h2-12,14-15,28H,13H2,1H3;1-2,5-13H,3-4H2;1-9H,(H2,23,25,26);2*1-10H,(H2,22,24,25);1-11H
InChIKeyJYBGHHCMQWUDFR-UHFFFAOYSA-N
XLogP31.31
TPSA309.22 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002139.43
LogP ≤ 531.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine with MolForge

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Related Compounds

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline
CID 157238947
6-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline
CID 157912555
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine
CID 158074555
6-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline
CID 158819214
N-(1,3-benzothiazol-2-yl)-9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine;9-chloro-5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5H-thiochromeno[4,3-d]pyrimidin-2-amine;N-(6-chloro-3-pyridinyl)-5H-thiochromeno[4,3-d]pyrimidin-2-amine;N-(4-fluorophenyl)-5H-thiochromeno[4,3-d]pyrimidin-2-amine;N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 158896492
8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
CID 159407872
6-[2-(3-Chlorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]quinoline
CID 159452883
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline
CID 160643485
N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)
CID 162103479

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine (CID 159057650) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine is Cc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Fc1ccc(-c2ncccc2-c2ccc3ncnc(C4CC4)c3c2)cc1Cl.Fc1ccccc1-c1ncccc1-c1ccncc1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(Cl)cc3Cl)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)ccc3Cl)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine?
The InChIKey is JYBGHHCMQWUDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4S.C22H15ClFN3.C19H11Cl2FN4.2C19H12ClFN4.C16H11FN2/c1-16-10-19(2-4-22(16)26)25-21(18-3-5-23-24(11-18)31-15-30-23)12-20(14-29-25)28-13-17-6-8-27-9-7-17;23-18-11-15(5-7-19(18)24)22-16(2-1-9-25-22)14-6-8-20-17(10-14)21(13-3-4-13)27-12-26-20;20-14-8-15(21)16(22)7-12(14)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-16-5-4-12(21)9-14(16)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-9-12(3-5-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17;17-15-6-2-1-4-14(15)16-13(5-3-9-19-16)12-7-10-18-11-8-12/h2-12,14-15,28H,13H2,1H3;1-2,5-13H,3-4H2;1-9H,(H2,23,25,26);2*1-10H,(H2,22,24,25);1-11H.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine?
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine has a molecular weight of 2139.43 g/mol, XLogP of 31.31, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-cyclopropylquinazoline;6-[2-(2-chloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-dichloro-5-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine is sourced from PubChem (CID 159057650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).