2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide

C48H61ClFN9O7 — CID 171846822

About 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide

2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide (PubChem CID 171846822) has the molecular formula C48H61ClFN9O7 and a molecular weight of 930.52 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
• PubChem CID: 171846822
• Molecular Formula: C48H61ClFN9O7
• Molecular Weight: 930.52 g/mol
• Exact Mass: 929.44
• IUPAC Name: 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
• SMILES: CNC(=O)C(CCC=O)N1C(=O)c2ccc(C3CCNCC3)c(F)c2C1C.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
• InChI: InChI=1S/C28H35ClN6O4.C20H26FN3O3/c1-17(2)35-23-8-7-19(13-18(23)14-24(27(35)37)38-16-25(36)30-3)32-26-22(29)15-31-28(33-26)34-11-9-21(10-12-34)39-20-5-4-6-20;1-12-17-15(6-5-14(18(17)21)13-7-9-23-10-8-13)20(27)24(12)16(4-3-11-25)19(26)22-2/h7-8,13-15,17,20-21H,4-6,9-12,16H2,1-3H3,(H,30,36)(H,31,32,33);5-6,11-13,16,23H,3-4,7-10H2,1-2H3,(H,22,26)
• InChIKey: AJCAURCSLOLCJF-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 189.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	930.52
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide?

The IUPAC name of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide (CID 171846822) is 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide.

What is the SMILES notation for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide?

The canonical SMILES for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N1C(=O)c2ccc(C3CCNCC3)c(F)c2C1C.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide?

The InChIKey is AJCAURCSLOLCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6O4.C20H26FN3O3/c1-17(2)35-23-8-7-19(13-18(23)14-24(27(35)37)38-16-25(36)30-3)32-26-22(29)15-31-28(33-26)34-11-9-21(10-12-34)39-20-5-4-6-20;1-12-17-15(6-5-14(18(17)21)13-7-9-23-10-8-13)20(27)24(12)16(4-3-11-25)19(26)22-2/h7-8,13-15,17,20-21H,4-6,9-12,16H2,1-3H3,(H,30,36)(H,31,32,33);5-6,11-13,16,23H,3-4,7-10H2,1-2H3,(H,22,26).

What are the key properties of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide?

2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide has a molecular weight of 930.52 g/mol, XLogP of 6.34, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(7-fluoro-1-methyl-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide is sourced from PubChem (CID 171846822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).