[6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone

C32H30Cl2N6O4 — CID 146207057

About [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone

[6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone (PubChem CID 146207057) has the molecular formula C32H30Cl2N6O4 and a molecular weight of 633.54 g/mol. Its IUPAC name is [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone
• PubChem CID: 146207057
• Molecular Formula: C32H30Cl2N6O4
• Molecular Weight: 633.54 g/mol
• Exact Mass: 632.17
• IUPAC Name: [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)N5CC(N)C5)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)N1CC(N)C1
• InChI: InChI=1S/C32H30Cl2N6O4/c1-43-29-23(31(41)39-13-17(35)14-39)9-11-25(37-29)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)26-12-10-24(30(38-26)44-2)32(42)40-15-18(36)16-40/h3-12,17-18H,13-16,35-36H2,1-2H3
• InChIKey: WUQFRRQQEDPWHR-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 136.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.54
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone?

The IUPAC name of [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone (CID 146207057) is [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone.

What is the SMILES notation for [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone?

The canonical SMILES for [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone is COc1nc(-c2cccc(-c3cccc(-c4ccc(C(=O)N5CC(N)C5)c(OC)n4)c3Cl)c2Cl)ccc1C(=O)N1CC(N)C1.

What is the InChIKey of [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone?

The InChIKey is WUQFRRQQEDPWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N6O4/c1-43-29-23(31(41)39-13-17(35)14-39)9-11-25(37-29)21-7-3-5-19(27(21)33)20-6-4-8-22(28(20)34)26-12-10-24(30(38-26)44-2)32(42)40-15-18(36)16-40/h3-12,17-18H,13-16,35-36H2,1-2H3.

What are the key properties of [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone?

[6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone has a molecular weight of 633.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3-[3-[5-(3-aminoazetidine-1-carbonyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]-(3-aminoazetidin-1-yl)methanone is sourced from PubChem (CID 146207057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).