4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate

C34H43N5O7 — CID 24968658

About 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate

4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate (PubChem CID 24968658) has the molecular formula C34H43N5O7 and a molecular weight of 633.75 g/mol. Its IUPAC name is 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate.

Molecular Properties

• Compound Name: 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate
• PubChem CID: 24968658
• Molecular Formula: C34H43N5O7
• Molecular Weight: 633.75 g/mol
• Exact Mass: 633.32
• IUPAC Name: 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate
• SMILES: CCN(CCCCOC(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21
• InChI: InChI=1S/C34H43N5O7/c1-8-37(29(40)19-38-27-17-23(44-6)11-13-25(27)31(35-38)33(42)21(2)3)15-9-10-16-46-30(41)20-39-28-18-24(45-7)12-14-26(28)32(36-39)34(43)22(4)5/h11-14,17-18,21-22H,8-10,15-16,19-20H2,1-7H3
• InChIKey: BGYWSYUHPMMQRH-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 134.85 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.75
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate?

The IUPAC name of 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate (CID 24968658) is 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate.

What is the SMILES notation for 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate?

The canonical SMILES for 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate is CCN(CCCCOC(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21.

What is the InChIKey of 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate?

The InChIKey is BGYWSYUHPMMQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O7/c1-8-37(29(40)19-38-27-17-23(44-6)11-13-25(27)31(35-38)33(42)21(2)3)15-9-10-16-46-30(41)20-39-28-18-24(45-7)12-14-26(28)32(36-39)34(43)22(4)5/h11-14,17-18,21-22H,8-10,15-16,19-20H2,1-7H3.

What are the key properties of 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate?

4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate has a molecular weight of 633.75 g/mol, XLogP of 4.95, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate is sourced from PubChem (CID 24968658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).