2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide

C31H38N6O6 — CID 170857907

IUPAC2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide
SMILESCOc1ccc2c(C(=O)C(C)C)nn(CC(=O)NCCN(C)C(=O)Cn3nc(C(=O)C(C)C)c4ccc(OC)cc43)c2c1
InChIInChI=1S/C31H38N6O6/c1-18(2)30(40)28-22-10-8-20(42-6)14-24(22)36(33-28)16-26(38)32-12-13-35(5)27(39)17-37-25-15-21(43-7)9-11-23(25)29(34-37)31(41)19(3)4/h8-11,14-15,18-19H,12-13,16-17H2,1-7H3,(H,32,38)
InChIKeyIZBJYKRYZXUZTG-UHFFFAOYSA-N
MW590.68 g/mol
LogP3.36
Rot. Bonds13

About 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide

2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide (PubChem CID 170857907) has the molecular formula C31H38N6O6 and a molecular weight of 590.68 g/mol. Its IUPAC name is 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide
PubChem CID170857907
Molecular FormulaC31H38N6O6
Molecular Weight590.68 g/mol
Exact Mass590.29
IUPAC Name2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide
SMILESCOc1ccc2c(C(=O)C(C)C)nn(CC(=O)NCCN(C)C(=O)Cn3nc(C(=O)C(C)C)c4ccc(OC)cc43)c2c1
InChIInChI=1S/C31H38N6O6/c1-18(2)30(40)28-22-10-8-20(42-6)14-24(22)36(33-28)16-26(38)32-12-13-35(5)27(39)17-37-25-15-21(43-7)9-11-23(25)29(34-37)31(41)19(3)4/h8-11,14-15,18-19H,12-13,16-17H2,1-7H3,(H,32,38)
InChIKeyIZBJYKRYZXUZTG-UHFFFAOYSA-N
XLogP3.36
TPSA137.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-N-[2-[tert-butyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]ethyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24968309
N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24965110
4-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-(3-methylbutyl)amino]butyl 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetate
CID 90784908
butyl 2-[6-methoxy-4-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-(3-methylbutyl)amino]-3-(2-methylpropanoyl)indazol-1-yl]acetate
CID 24963676
1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide
CID 11740930
2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 10003042
1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carboxylic acid
CID 11737836
2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide
CID 142895372
2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
CID 170857608
N,N-dibutyl-2-(6-methoxy-3-methylindazol-1-yl)acetamide
CID 143018288
2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide
CID 11756077

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide?
The IUPAC name of 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide (CID 170857907) is 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide.
What is the SMILES notation for 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide?
The canonical SMILES for 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide is COc1ccc2c(C(=O)C(C)C)nn(CC(=O)NCCN(C)C(=O)Cn3nc(C(=O)C(C)C)c4ccc(OC)cc43)c2c1.
What is the InChIKey of 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide?
The InChIKey is IZBJYKRYZXUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O6/c1-18(2)30(40)28-22-10-8-20(42-6)14-24(22)36(33-28)16-26(38)32-12-13-35(5)27(39)17-37-25-15-21(43-7)9-11-23(25)29(34-37)31(41)19(3)4/h8-11,14-15,18-19H,12-13,16-17H2,1-7H3,(H,32,38).
What are the key properties of 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide?
2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide has a molecular weight of 590.68 g/mol, XLogP of 3.36, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]-N-[2-[[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]-methylamino]ethyl]acetamide is sourced from PubChem (CID 170857907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).