1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide

C167H160F3N27O15S3 — CID 158301319

About 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide

1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide (PubChem CID 158301319) has the molecular formula C167H160F3N27O15S3 and a molecular weight of 2938.49 g/mol. Its IUPAC name is 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide.

Molecular Properties

• Compound Name: 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide
• PubChem CID: 158301319
• Molecular Formula: C167H160F3N27O15S3
• Molecular Weight: 2938.49 g/mol
• Exact Mass: 2936.17
• IUPAC Name: 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide
• SMILES: CC(=O)N1CCN(c2ccc(C(=O)CCc3ccc(-c4ccnc(C)c4)c(F)c3)cn2)CC1.COC(=O)N1CCN(c2ccc(C(=O)CCc3ccc(N4CCS(=O)(=O)CC4)nc3)cc2)CC1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccnnc4)nc3)cc2)ccn1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cnccn4)cc3)cn2)ccn1.O=C(NCc1ccc(N2CCS(=O)(=O)CC2)nc1)c1ccc(-c2cccc(F)c2)cc1.O=C(NCc1ccc(N2CCS(=O)CC2)nc1)c1ccc(-c2cccc(F)c2)cc1
• InChI: InChI=1S/C26H27FN4O2.C25H21N3O.C24H30N4O5S.C23H22FN3O3S.C23H22FN3O2S.2C23H19N5O/c1-18-15-21(9-10-28-18)23-6-3-20(16-24(23)27)4-7-25(33)22-5-8-26(29-17-22)31-13-11-30(12-14-31)19(2)32;1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-28-25(29)24-12-11-23(17-27-24)20-5-3-2-4-6-20;1-33-24(30)28-12-10-26(11-13-28)21-6-4-20(5-7-21)22(29)8-2-19-3-9-23(25-18-19)27-14-16-34(31,32)17-15-27;24-21-3-1-2-20(14-21)18-5-7-19(8-6-18)23(28)26-16-17-4-9-22(25-15-17)27-10-12-31(29,30)13-11-27;24-21-3-1-2-20(14-21)18-5-7-19(8-6-18)23(28)26-16-17-4-9-22(25-15-17)27-10-12-30(29)13-11-27;1-16-12-20(8-9-25-16)21-7-2-17(13-27-21)14-28-23(29)19-5-3-18(4-6-19)22-15-24-10-11-26-22;1-16-12-19(8-10-24-16)18-4-2-17(3-5-18)13-26-23(29)21-6-7-22(25-14-21)20-9-11-27-28-15-20/h3,5-6,8-10,15-17H,4,7,11-14H2,1-2H3;2-15,17H,16H2,1H3,(H,28,29);3-7,9,18H,2,8,10-17H2,1H3;1-9,14-15H,10-13,16H2,(H,26,28);1-9,14-15H,10-13,16H2,(H,26,28);2-13,15H,14H2,1H3,(H,28,29);2-12,14-15H,13H2,1H3,(H,26,29)
• InChIKey: GMNKHDXSVDFBIB-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 524.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2938.49
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide?

The IUPAC name of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide (CID 158301319) is 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide.

What is the SMILES notation for 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide?

The canonical SMILES for 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide is CC(=O)N1CCN(c2ccc(C(=O)CCc3ccc(-c4ccnc(C)c4)c(F)c3)cn2)CC1.COC(=O)N1CCN(c2ccc(C(=O)CCc3ccc(N4CCS(=O)(=O)CC4)nc3)cc2)CC1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccccc4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4ccnnc4)nc3)cc2)ccn1.Cc1cc(-c2ccc(CNC(=O)c3ccc(-c4cnccn4)cc3)cn2)ccn1.O=C(NCc1ccc(N2CCS(=O)(=O)CC2)nc1)c1ccc(-c2cccc(F)c2)cc1.O=C(NCc1ccc(N2CCS(=O)CC2)nc1)c1ccc(-c2cccc(F)c2)cc1.

What is the InChIKey of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide?

The InChIKey is GMNKHDXSVDFBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2.C25H21N3O.C24H30N4O5S.C23H22FN3O3S.C23H22FN3O2S.2C23H19N5O/c1-18-15-21(9-10-28-18)23-6-3-20(16-24(23)27)4-7-25(33)22-5-8-26(29-17-22)31-13-11-30(12-14-31)19(2)32;1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-28-25(29)24-12-11-23(17-27-24)20-5-3-2-4-6-20;1-33-24(30)28-12-10-26(11-13-28)21-6-4-20(5-7-21)22(29)8-2-19-3-9-23(25-18-19)27-14-16-34(31,32)17-15-27;24-21-3-1-2-20(14-21)18-5-7-19(8-6-18)23(28)26-16-17-4-9-22(25-15-17)27-10-12-31(29,30)13-11-27;24-21-3-1-2-20(14-21)18-5-7-19(8-6-18)23(28)26-16-17-4-9-22(25-15-17)27-10-12-30(29)13-11-27;1-16-12-20(8-9-25-16)21-7-2-17(13-27-21)14-28-23(29)19-5-3-18(4-6-19)22-15-24-10-11-26-22;1-16-12-19(8-10-24-16)18-4-2-17(3-5-18)13-26-23(29)21-6-7-22(25-14-21)20-9-11-27-28-15-20/h3,5-6,8-10,15-17H,4,7,11-14H2,1-2H3;2-15,17H,16H2,1H3,(H,28,29);3-7,9,18H,2,8,10-17H2,1H3;1-9,14-15H,10-13,16H2,(H,26,28);1-9,14-15H,10-13,16H2,(H,26,28);2-13,15H,14H2,1H3,(H,28,29);2-12,14-15H,13H2,1H3,(H,26,29).

What are the key properties of 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide?

1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide has a molecular weight of 2938.49 g/mol, XLogP of 25.26, 37 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-3-[3-fluoro-4-(2-methyl-4-pyridinyl)phenyl]propan-1-one;N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-(3-fluorophenyl)benzamide;4-(3-fluorophenyl)-N-[[6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]benzamide;methyl 4-[4-[3-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]propanoyl]phenyl]piperazine-1-carboxylate;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-phenylpyridine-2-carboxamide;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylpyridine-3-carboxamide;N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-pyrazin-2-ylbenzamide is sourced from PubChem (CID 158301319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).