N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide

C22H24N4O3 — CID 46378671

IUPACN-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)c3ccccc32)c1C
InChIInChI=1S/C22H24N4O3/c1-15-6-5-8-18(16(15)2)23-20(27)14-26-19-9-4-3-7-17(19)21(24-26)22(28)25-10-12-29-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyYJFOALMEKXLBPU-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.76
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide (PubChem CID 46378671) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
PubChem CID46378671
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)c3ccccc32)c1C
InChIInChI=1S/C22H24N4O3/c1-15-6-5-8-18(16(15)2)23-20(27)14-26-19-9-4-3-7-17(19)21(24-26)22(28)25-10-12-29-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyYJFOALMEKXLBPU-UHFFFAOYSA-N
XLogP2.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-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 N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide (CID 46378671) is N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide is Cc1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)c3ccccc32)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
The InChIKey is YJFOALMEKXLBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-5-8-18(16(15)2)23-20(27)14-26-19-9-4-3-7-17(19)21(24-26)22(28)25-10-12-29-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide is sourced from PubChem (CID 46378671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).