2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide

C20H28N4O — CID 166276677

IUPAC2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide
SMILESCn1ncc2ccc(NC(=O)CC3CCC4(CCNCC4)CC3)cc21
InChIInChI=1S/C20H28N4O/c1-24-18-13-17(3-2-16(18)14-22-24)23-19(25)12-15-4-6-20(7-5-15)8-10-21-11-9-20/h2-3,13-15,21H,4-12H2,1H3,(H,23,25)
InChIKeyCVDVYJUTANNLLT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.46
Rot. Bonds3

About 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide

2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide (PubChem CID 166276677) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide
PubChem CID166276677
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide
SMILESCn1ncc2ccc(NC(=O)CC3CCC4(CCNCC4)CC3)cc21
InChIInChI=1S/C20H28N4O/c1-24-18-13-17(3-2-16(18)14-22-24)23-19(25)12-15-4-6-20(7-5-15)8-10-21-11-9-20/h2-3,13-15,21H,4-12H2,1H3,(H,23,25)
InChIKeyCVDVYJUTANNLLT-UHFFFAOYSA-N
XLogP3.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide (CID 166276677) is 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide is Cn1ncc2ccc(NC(=O)CC3CCC4(CCNCC4)CC3)cc21.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide?
The InChIKey is CVDVYJUTANNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-24-18-13-17(3-2-16(18)14-22-24)23-19(25)12-15-4-6-20(7-5-15)8-10-21-11-9-20/h2-3,13-15,21H,4-12H2,1H3,(H,23,25).
What are the key properties of 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide?
2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-9-yl)-N-(1-methylindazol-6-yl)acetamide is sourced from PubChem (CID 166276677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).