2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide

C21H18ClN5O3S — CID 168967991

IUPAC2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide
SMILESCOCC(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc3c2cnn3-c2nccs2)c1
InChIInChI=1S/C21H18ClN5O3S/c1-30-12-19(28)24-10-13-5-6-16(22)14(9-13)20(29)26-17-3-2-4-18-15(17)11-25-27(18)21-23-7-8-31-21/h2-9,11H,10,12H2,1H3,(H,24,28)(H,26,29)
InChIKeyAYEYDWMDBIGIAT-UHFFFAOYSA-N
MW455.93 g/mol
LogP3.65
Rot. Bonds7

About 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide

2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide (PubChem CID 168967991) has the molecular formula C21H18ClN5O3S and a molecular weight of 455.93 g/mol. Its IUPAC name is 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide
PubChem CID168967991
Molecular FormulaC21H18ClN5O3S
Molecular Weight455.93 g/mol
Exact Mass455.08
IUPAC Name2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide
SMILESCOCC(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc3c2cnn3-c2nccs2)c1
InChIInChI=1S/C21H18ClN5O3S/c1-30-12-19(28)24-10-13-5-6-16(22)14(9-13)20(29)26-17-3-2-4-18-15(17)11-25-27(18)21-23-7-8-31-21/h2-9,11H,10,12H2,1H3,(H,24,28)(H,26,29)
InChIKeyAYEYDWMDBIGIAT-UHFFFAOYSA-N
XLogP3.65
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.93
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide 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

2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide
CID 168968066
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(3-methoxyphenyl)indazol-4-yl]benzamide
CID 168968275
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
CID 168968273
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968152
5-[(butanoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968124
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(5-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968324
2-chloro-N-[1-(6-cyano-3-pyridinyl)indazol-4-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 168968017
tert-butyl N-[[4-chloro-3-[[1-[3-(trifluoromethoxy)phenyl]indazol-4-yl]carbamoyl]phenyl]methyl]carbamate
CID 168967980
5-[(but-2-ynoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968091
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-[2-methyl-4-(trifluoromethoxy)phenyl]indazol-4-yl]benzamide
CID 168968310
2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
CID 168968233
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(2-phenylethyl)indazol-4-yl]benzamide
CID 168968201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide?
The IUPAC name of 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide (CID 168967991) is 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide is COCC(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc3c2cnn3-c2nccs2)c1.
What is the InChIKey of 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide?
The InChIKey is AYEYDWMDBIGIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O3S/c1-30-12-19(28)24-10-13-5-6-16(22)14(9-13)20(29)26-17-3-2-4-18-15(17)11-25-27(18)21-23-7-8-31-21/h2-9,11H,10,12H2,1H3,(H,24,28)(H,26,29).
What are the key properties of 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide?
2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide has a molecular weight of 455.93 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide is sourced from PubChem (CID 168967991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).