3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one

C43H46ClF6N13O2 — CID 157356345

About 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one

3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one (PubChem CID 157356345) has the molecular formula C43H46ClF6N13O2 and a molecular weight of 926.37 g/mol. Its IUPAC name is 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one.

Molecular Properties

• Compound Name: 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one
• PubChem CID: 157356345
• Molecular Formula: C43H46ClF6N13O2
• Molecular Weight: 926.37 g/mol
• Exact Mass: 925.35
• IUPAC Name: 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one
• SMILES: Cc1cc(C)n(-c2nc(Cl)cc(Nc3cccc(C(F)(F)F)c3)n2)n1.Cc1cc(C)n(-c2nc(Nc3cccc(C(F)(F)F)c3)cc(NC3CCCCC3=O)n2)n1.NC1CCCNC1=O
• InChI: InChI=1S/C22H23F3N6O.C16H13ClF3N5.C5H10N2O/c1-13-10-14(2)31(30-13)21-28-19(26-16-7-5-6-15(11-16)22(23,24)25)12-20(29-21)27-17-8-3-4-9-18(17)32;1-9-6-10(2)25(24-9)15-22-13(17)8-14(23-15)21-12-5-3-4-11(7-12)16(18,19)20;6-4-2-1-3-7-5(4)8/h5-7,10-12,17H,3-4,8-9H2,1-2H3,(H2,26,27,28,29);3-8H,1-2H3,(H,21,22,23);4H,1-3,6H2,(H,7,8)
• InChIKey: BICXDQYUJQYQPQ-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 195.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	926.37
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one?

The IUPAC name of 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one (CID 157356345) is 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one.

What is the SMILES notation for 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one?

The canonical SMILES for 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one is Cc1cc(C)n(-c2nc(Cl)cc(Nc3cccc(C(F)(F)F)c3)n2)n1.Cc1cc(C)n(-c2nc(Nc3cccc(C(F)(F)F)c3)cc(NC3CCCCC3=O)n2)n1.NC1CCCNC1=O.

What is the InChIKey of 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one?

The InChIKey is BICXDQYUJQYQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O.C16H13ClF3N5.C5H10N2O/c1-13-10-14(2)31(30-13)21-28-19(26-16-7-5-6-15(11-16)22(23,24)25)12-20(29-21)27-17-8-3-4-9-18(17)32;1-9-6-10(2)25(24-9)15-22-13(17)8-14(23-15)21-12-5-3-4-11(7-12)16(18,19)20;6-4-2-1-3-7-5(4)8/h5-7,10-12,17H,3-4,8-9H2,1-2H3,(H2,26,27,28,29);3-8H,1-2H3,(H,21,22,23);4H,1-3,6H2,(H,7,8).

What are the key properties of 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one?

3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one has a molecular weight of 926.37 g/mol, XLogP of 8.88, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminopiperidin-2-one;6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]cyclohexan-1-one is sourced from PubChem (CID 157356345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).