1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide

C21H18ClN3OS — CID 53084774

IUPAC1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C21H18ClN3OS/c22-18-4-1-3-15(11-18)14-25-20-12-16(6-7-17(20)13-24-25)21(26)23-9-8-19-5-2-10-27-19/h1-7,10-13H,8-9,14H2,(H,23,26)
InChIKeyHWODDHMDWJQZIG-UHFFFAOYSA-N
MW395.92 g/mol
LogP4.77
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide

1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide (PubChem CID 53084774) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
PubChem CID53084774
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C21H18ClN3OS/c22-18-4-1-3-15(11-18)14-25-20-12-16(6-7-17(20)13-24-25)21(26)23-9-8-19-5-2-10-27-19/h1-7,10-13H,8-9,14H2,(H,23,26)
InChIKeyHWODDHMDWJQZIG-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
CID 53012821
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
CID 53034345
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 53084695
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide (CID 53084774) is 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide is O=C(NCCc1cccs1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The InChIKey is HWODDHMDWJQZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c22-18-4-1-3-15(11-18)14-25-20-12-16(6-7-17(20)13-24-25)21(26)23-9-8-19-5-2-10-27-19/h1-7,10-13H,8-9,14H2,(H,23,26).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide has a molecular weight of 395.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 53084774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).