N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide

C21H25N5O2 — CID 70782964

IUPACN-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12
InChIInChI=1S/C21H25N5O2/c1-22-14-19(27)23-21-20-17(25-10-12-28-13-11-25)8-5-9-18(20)26(24-21)15-16-6-3-2-4-7-16/h2-9,22H,10-15H2,1H3,(H,23,24,27)
InChIKeyHITQXJROQOSVAU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.08
Rot. Bonds6

About N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide

N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide (PubChem CID 70782964) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide
PubChem CID70782964
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12
InChIInChI=1S/C21H25N5O2/c1-22-14-19(27)23-21-20-17(25-10-12-28-13-11-25)8-5-9-18(20)26(24-21)15-16-6-3-2-4-7-16/h2-9,22H,10-15H2,1H3,(H,23,24,27)
InChIKeyHITQXJROQOSVAU-UHFFFAOYSA-N
XLogP2.08
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)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 N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide (CID 70782964) is N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide is CNCC(=O)Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c12.
What is the InChIKey of N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide?
The InChIKey is HITQXJROQOSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-22-14-19(27)23-21-20-17(25-10-12-28-13-11-25)8-5-9-18(20)26(24-21)15-16-6-3-2-4-7-16/h2-9,22H,10-15H2,1H3,(H,23,24,27).
What are the key properties of N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide?
N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-morpholin-4-ylindazol-3-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 70782964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).