N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one

C147H113F4N19O5S3 — CID 159968992

About N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one

N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one (PubChem CID 159968992) has the molecular formula C147H113F4N19O5S3 and a molecular weight of 2397.84 g/mol. Its IUPAC name is N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one.

Molecular Properties

• Compound Name: N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
• PubChem CID: 159968992
• Molecular Formula: C147H113F4N19O5S3
• Molecular Weight: 2397.84 g/mol
• Exact Mass: 2395.83
• IUPAC Name: N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
• SMILES: CC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(-c3cccc(O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc2c1=O
• InChI: InChI=1S/C29H21FN4S.C28H23FN4OS.C25H17FN2OS.C23H19N3O.C21H16FN3O.C21H17N3O/c1-18-10-22(6-8-25(18)30)29-24(20-7-9-27-28(12-20)35-17-34-27)13-23(16-33-29)31-14-19-11-21-4-2-3-5-26(21)32-15-19;1-17-11-21(5-9-25(17)29)28-24(20-6-10-26-27(12-20)35-16-32-26)13-23(15-31-28)30-14-19-3-7-22(8-4-19)33-18(2)34;1-15-9-18(5-7-22(15)26)25-21(17-6-8-23-24(12-17)30-14-28-23)11-19(13-27-25)16-3-2-4-20(29)10-16;1-26-14-25-21-10-9-17(13-20(21)23(26)27)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26)25(2)12-24-19;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25)24(2)13-23-19/h2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);2-14,29H,1H3;2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,1-2H3
• InChIKey: OEHHTVXPVDYFRS-UHFFFAOYSA-N
• XLogP: 34.14
• TPSA: 306.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2397.84
LogP ≤ 5	34.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one?

The IUPAC name of N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one (CID 159968992) is N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one.

What is the SMILES notation for N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one?

The canonical SMILES for N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one is CC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(-c3cccc(O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc2c1=O.

What is the InChIKey of N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one?

The InChIKey is OEHHTVXPVDYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN4S.C28H23FN4OS.C25H17FN2OS.C23H19N3O.C21H16FN3O.C21H17N3O/c1-18-10-22(6-8-25(18)30)29-24(20-7-9-27-28(12-20)35-17-34-27)13-23(16-33-29)31-14-19-11-21-4-2-3-5-26(21)32-15-19;1-17-11-21(5-9-25(17)29)28-24(20-6-10-26-27(12-20)35-16-32-26)13-23(15-31-28)30-14-19-3-7-22(8-4-19)33-18(2)34;1-15-9-18(5-7-22(15)26)25-21(17-6-8-23-24(12-17)30-14-28-23)11-19(13-27-25)16-3-2-4-20(29)10-16;1-26-14-25-21-10-9-17(13-20(21)23(26)27)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26)25(2)12-24-19;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25)24(2)13-23-19/h2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);2-14,29H,1H3;2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,1-2H3.

What are the key properties of N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one?

N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one has a molecular weight of 2397.84 g/mol, XLogP of 34.14, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 159968992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).