2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione

C47H55ClFN9O7 — CID 171846882

About 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione

2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 171846882) has the molecular formula C47H55ClFN9O7 and a molecular weight of 912.46 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione
• PubChem CID: 171846882
• Molecular Formula: C47H55ClFN9O7
• Molecular Weight: 912.46 g/mol
• Exact Mass: 911.39
• IUPAC Name: 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCC5)CC4)ncc3Cl)ccc2n(C2CCC2)c1=O.O=C1CCC(N2Cc3c(ccc(C4CCNCC4)c3F)C2=O)C(=O)N1
• InChI: InChI=1S/C29H35ClN6O4.C18H20FN3O3/c1-31-26(37)17-39-25-15-18-14-19(8-9-24(18)36(28(25)38)20-4-2-5-20)33-27-23(30)16-32-29(34-27)35-12-10-22(11-13-35)40-21-6-3-7-21;19-16-11(10-5-7-20-8-6-10)1-2-12-13(16)9-22(18(12)25)14-3-4-15(23)21-17(14)24/h8-9,14-16,20-22H,2-7,10-13,17H2,1H3,(H,31,37)(H,32,33,34);1-2,10,14,20H,3-9H2,(H,21,23,24)
• InChIKey: LAHOEQPZPJVYDH-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 189.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	912.46
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', '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]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione?

The IUPAC name of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione (CID 171846882) is 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione.

What is the SMILES notation for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione?

The canonical SMILES for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione is CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCC5)CC4)ncc3Cl)ccc2n(C2CCC2)c1=O.O=C1CCC(N2Cc3c(ccc(C4CCNCC4)c3F)C2=O)C(=O)N1.

What is the InChIKey of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione?

The InChIKey is LAHOEQPZPJVYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN6O4.C18H20FN3O3/c1-31-26(37)17-39-25-15-18-14-19(8-9-24(18)36(28(25)38)20-4-2-5-20)33-27-23(30)16-32-29(34-27)35-12-10-22(11-13-35)40-21-6-3-7-21;19-16-11(10-5-7-20-8-6-10)1-2-12-13(16)9-22(18(12)25)14-3-4-15(23)21-17(14)24/h8-9,14-16,20-22H,2-7,10-13,17H2,1H3,(H,31,37)(H,32,33,34);1-2,10,14,20H,3-9H2,(H,21,23,24).

What are the key properties of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione?

2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 912.46 g/mol, XLogP of 5.63, 11 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]-1-cyclobutyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide;3-(7-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 171846882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).