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

C122H83F7N14S — CID 157399771

IUPAC5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline
SMILESCc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccnc3ccccc23)ccc1F.Fc1ccc(-c2ncccc2-c2ccnc3ccccc23)cc1F.Fc1cccc(-c2ncccc2-c2ccnc3ccccc23)c1.Fc1ccccc1-c1ncccc1-c1ccnc2ccccc12.Fc1ccccc1-c1ncccc1-c1ccncc1
InChIInChI=1S/C25H19FN4S.C21H15FN2.C20H12F2N2.2C20H13FN2.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;1-14-13-15(8-9-19(14)22)21-18(6-4-11-24-21)16-10-12-23-20-7-3-2-5-17(16)20;21-17-8-7-13(12-18(17)22)20-16(5-3-10-24-20)14-9-11-23-19-6-2-1-4-15(14)19;21-18-9-3-1-7-17(18)20-16(8-5-12-23-20)14-11-13-22-19-10-4-2-6-15(14)19;21-15-6-3-5-14(13-15)20-18(8-4-11-23-20)16-10-12-22-19-9-2-1-7-17(16)19;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;2-13H,1H3;1-12H;2*1-13H;1-11H
InChIKeyBMZXNFRFPISBEO-UHFFFAOYSA-N
MW1910.16 g/mol
LogP31.29
Rot. Bonds15

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

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline (PubChem CID 157399771) has the molecular formula C122H83F7N14S and a molecular weight of 1910.16 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline
PubChem CID157399771
Molecular FormulaC122H83F7N14S
Molecular Weight1910.16 g/mol
Exact Mass1908.65
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline
SMILESCc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccnc3ccccc23)ccc1F.Fc1ccc(-c2ncccc2-c2ccnc3ccccc23)cc1F.Fc1cccc(-c2ncccc2-c2ccnc3ccccc23)c1.Fc1ccccc1-c1ncccc1-c1ccnc2ccccc12.Fc1ccccc1-c1ncccc1-c1ccncc1
InChIInChI=1S/C25H19FN4S.C21H15FN2.C20H12F2N2.2C20H13FN2.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;1-14-13-15(8-9-19(14)22)21-18(6-4-11-24-21)16-10-12-23-20-7-3-2-5-17(16)20;21-17-8-7-13(12-18(17)22)20-16(5-3-10-24-20)14-9-11-23-19-6-2-1-4-15(14)19;21-18-9-3-1-7-17(18)20-16(8-5-12-23-20)14-11-13-22-19-10-4-2-6-15(14)19;21-15-6-3-5-14(13-15)20-18(8-4-11-23-20)16-10-12-22-19-9-2-1-7-17(16)19;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;2-13H,1H3;1-12H;2*1-13H;1-11H
InChIKeyBMZXNFRFPISBEO-UHFFFAOYSA-N
XLogP31.29
TPSA179.60 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.16
LogP ≤ 531.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

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

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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;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline (CID 157399771) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline is Cc1cc(-c2ncc(NCc3ccncc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccnc3ccccc23)ccc1F.Fc1ccc(-c2ncccc2-c2ccnc3ccccc23)cc1F.Fc1cccc(-c2ncccc2-c2ccnc3ccccc23)c1.Fc1ccccc1-c1ncccc1-c1ccnc2ccccc12.Fc1ccccc1-c1ncccc1-c1ccncc1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline?
The InChIKey is BMZXNFRFPISBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4S.C21H15FN2.C20H12F2N2.2C20H13FN2.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;1-14-13-15(8-9-19(14)22)21-18(6-4-11-24-21)16-10-12-23-20-7-3-2-5-17(16)20;21-17-8-7-13(12-18(17)22)20-16(5-3-10-24-20)14-9-11-23-19-6-2-1-4-15(14)19;21-18-9-3-1-7-17(18)20-16(8-5-12-23-20)14-11-13-22-19-10-4-2-6-15(14)19;21-15-6-3-5-14(13-15)20-18(8-4-11-23-20)16-10-12-22-19-9-2-1-7-17(16)19;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;2-13H,1H3;1-12H;2*1-13H;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;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline?
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(pyridin-4-ylmethyl)pyridin-3-amine;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline has a molecular weight of 1910.16 g/mol, XLogP of 31.29, 15 rotatable bonds, 1 hydrogen bond donors, and 15 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;4-[2-(3,4-difluorophenyl)-3-pyridinyl]quinoline;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline;2-(2-fluorophenyl)-3-pyridin-4-ylpyridine;4-[2-(2-fluorophenyl)-3-pyridinyl]quinoline;4-[2-(3-fluorophenyl)-3-pyridinyl]quinoline is sourced from PubChem (CID 157399771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).