3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide

C46H53FN8O6 — CID 172590178

About 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide

3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 172590178) has the molecular formula C46H53FN8O6 and a molecular weight of 832.98 g/mol. Its IUPAC name is 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide
• PubChem CID: 172590178
• Molecular Formula: C46H53FN8O6
• Molecular Weight: 832.98 g/mol
• Exact Mass: 832.41
• IUPAC Name: 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide
• SMILES: CNC(=O)C1CCCC(Nc2ncc(F)c(-c3cccc(-n4ccccc4=O)c3)n2)C1.O=C1CCC(n2c(=O)oc3cc(C4CCN(C5CCCCC5)CC4)ccc32)C(=O)N1
• InChI: InChI=1S/C23H24FN5O2.C23H29N3O4/c1-25-22(31)16-7-4-8-17(12-16)27-23-26-14-19(24)21(28-23)15-6-5-9-18(13-15)29-11-3-2-10-20(29)30;27-21-9-8-19(22(28)24-21)26-18-7-6-16(14-20(18)30-23(26)29)15-10-12-25(13-11-15)17-4-2-1-3-5-17/h2-3,5-6,9-11,13-14,16-17H,4,7-8,12H2,1H3,(H,25,31)(H,26,27,28);6-7,14-15,17,19H,1-5,8-13H2,(H,24,27,28)
• InChIKey: PERMOLDBYJUBIJ-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 173.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	832.98
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?

The IUPAC name of 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide (CID 172590178) is 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide.

What is the SMILES notation for 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?

The canonical SMILES for 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCCC(Nc2ncc(F)c(-c3cccc(-n4ccccc4=O)c3)n2)C1.O=C1CCC(n2c(=O)oc3cc(C4CCN(C5CCCCC5)CC4)ccc32)C(=O)N1.

What is the InChIKey of 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?

The InChIKey is PERMOLDBYJUBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2.C23H29N3O4/c1-25-22(31)16-7-4-8-17(12-16)27-23-26-14-19(24)21(28-23)15-6-5-9-18(13-15)29-11-3-2-10-20(29)30;27-21-9-8-19(22(28)24-21)26-18-7-6-16(14-20(18)30-23(26)29)15-10-12-25(13-11-15)17-4-2-1-3-5-17/h2-3,5-6,9-11,13-14,16-17H,4,7-8,12H2,1H3,(H,25,31)(H,26,27,28);6-7,14-15,17,19H,1-5,8-13H2,(H,24,27,28).

What are the key properties of 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide?

3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 832.98 g/mol, XLogP of 6.23, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(1-cyclohexylpiperidin-4-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;3-[[5-fluoro-4-[3-(2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 172590178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).