3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C114H115F9N14O10 — CID 157448671

About 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 157448671) has the molecular formula C114H115F9N14O10 and a molecular weight of 2012.24 g/mol. Its IUPAC name is 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 157448671
• Molecular Formula: C114H115F9N14O10
• Molecular Weight: 2012.24 g/mol
• Exact Mass: 2010.88
• IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
• SMILES: Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1cc(C2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1
• InChI: InChI=1S/C32H36N4O3.C29H30F3N3O3.C28H26F3N5O2.C25H23F3N2O2/c1-22-7-8-27(34-31(37)24-5-4-6-26(17-24)32(2,3)21-33)20-28(22)25-18-29(23-9-13-38-14-10-23)35-30(19-25)36-11-15-39-16-12-36;1-20-5-6-22(26(36)16-21-3-2-4-24(15-21)29(30,31)32)17-25(20)23-18-27(34-7-11-37-12-8-34)33-28(19-23)35-9-13-38-14-10-35;1-18-6-7-23(33-27(37)19-4-3-5-22(12-19)28(29,30)31)15-24(18)20-13-25(21-16-32-35(2)17-21)34-26(14-20)36-8-10-38-11-9-36;1-17-5-6-19(24(31)14-18-3-2-4-20(13-18)25(26,27)28)15-22(17)23-16-21(7-8-29-23)30-9-11-32-12-10-30/h4-8,17-20,23H,9-16H2,1-3H3,(H,34,37);2-6,15,17-19H,7-14,16H2,1H3;3-7,12-17H,8-11H2,1-2H3,(H,33,37);2-8,13,15-16H,9-12,14H2,1H3
• InChIKey: BSNOQQBYKWWPDB-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 257.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.24
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 157448671) is 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1-c1cc(C2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.

What is the InChIKey of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

The InChIKey is BSNOQQBYKWWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3.C29H30F3N3O3.C28H26F3N5O2.C25H23F3N2O2/c1-22-7-8-27(34-31(37)24-5-4-6-26(17-24)32(2,3)21-33)20-28(22)25-18-29(23-9-13-38-14-10-23)35-30(19-25)36-11-15-39-16-12-36;1-20-5-6-22(26(36)16-21-3-2-4-24(15-21)29(30,31)32)17-25(20)23-18-27(34-7-11-37-12-8-34)33-28(19-23)35-9-13-38-14-10-35;1-18-6-7-23(33-27(37)19-4-3-5-22(12-19)28(29,30)31)15-24(18)20-13-25(21-16-32-35(2)17-21)34-26(14-20)36-8-10-38-11-9-36;1-17-5-6-19(24(31)14-18-3-2-4-20(13-18)25(26,27)28)15-22(17)23-16-21(7-8-29-23)30-9-11-32-12-10-30/h4-8,17-20,23H,9-16H2,1-3H3,(H,34,37);2-6,15,17-19H,7-14,16H2,1H3;3-7,12-17H,8-11H2,1-2H3,(H,33,37);2-8,13,15-16H,9-12,14H2,1H3.

What are the key properties of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?

3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2012.24 g/mol, XLogP of 21.92, 22 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 157448671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).