2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide

C23H23N5O3S — CID 162672149

IUPAC2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1
InChIInChI=1S/C23H23N5O3S/c1-15-22(32-23(25-15)26-21(29)14-31-12-11-30-2)16-6-8-18-19(27-28-20(18)13-16)9-7-17-5-3-4-10-24-17/h3-10,13H,11-12,14H2,1-2H3,(H,27,28)(H,25,26,29)/b9-7+
InChIKeyMETYTGANEGYSPB-VQHVLOKHSA-N
MW449.54 g/mol
LogP4.16
Rot. Bonds9

About 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide

2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 162672149) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID162672149
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOCCOCC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1
InChIInChI=1S/C23H23N5O3S/c1-15-22(32-23(25-15)26-21(29)14-31-12-11-30-2)16-6-8-18-19(27-28-20(18)13-16)9-7-17-5-3-4-10-24-17/h3-10,13H,11-12,14H2,1-2H3,(H,27,28)(H,25,26,29)/b9-7+
InChIKeyMETYTGANEGYSPB-VQHVLOKHSA-N
XLogP4.16
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-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-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide (CID 162672149) is 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is COCCOCC(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is METYTGANEGYSPB-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-22(32-23(25-15)26-21(29)14-31-12-11-30-2)16-6-8-18-19(27-28-20(18)13-16)9-7-17-5-3-4-10-24-17/h3-10,13H,11-12,14H2,1-2H3,(H,27,28)(H,25,26,29)/b9-7+.
What are the key properties of 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide?
2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 449.54 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 162672149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).