3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide

C20H16N4O2S — CID 22480074

IUPAC3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccsc4)c3)c2c1
InChIInChI=1S/C20H16N4O2S/c21-20(26)14-4-5-17-16(10-14)19(24-23-17)13-2-1-3-15(9-13)22-18(25)8-12-6-7-27-11-12/h1-7,9-11H,8H2,(H2,21,26)(H,22,25)(H,23,24)
InChIKeyXWCFXZPRGPTHIB-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.57
Rot. Bonds5

About 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide

3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide (PubChem CID 22480074) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide
PubChem CID22480074
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccsc4)c3)c2c1
InChIInChI=1S/C20H16N4O2S/c21-20(26)14-4-5-17-16(10-14)19(24-23-17)13-2-1-3-15(9-13)22-18(25)8-12-6-7-27-11-12/h1-7,9-11H,8H2,(H2,21,26)(H,22,25)(H,23,24)
InChIKeyXWCFXZPRGPTHIB-UHFFFAOYSA-N
XLogP3.57
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730410
N-(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730586
N-(6-methyl-3-(phenylethynyl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 46886343
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide
CID 53476533
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 67465029
N-[cyclopropyl(thiophen-3-yl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 68229500
3-(3-sulfamoylphenyl)-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 68229585
N-[cyclopropyl(thiophen-3-yl)methyl]-3-[4-(4-hydroxypiperidin-1-yl)phenyl]-1H-indazole-5-carboxamide
CID 89509755
N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide
CID 9869058
N-(6-(pyrrolidin-1-yl)-3-styryl-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730664
N-(3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 23583059
N-(3-thiophen-3-yl-2,4-dihydro-indeno[1,2-c]pyrazol-5-yl)-benzamide
CID 44440252

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide (CID 22480074) is 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)Cc4ccsc4)c3)c2c1.
What is the InChIKey of 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is XWCFXZPRGPTHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c21-20(26)14-4-5-17-16(10-14)19(24-23-17)13-2-1-3-15(9-13)22-18(25)8-12-6-7-27-11-12/h1-7,9-11H,8H2,(H2,21,26)(H,22,25)(H,23,24).
What are the key properties of 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide?
3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-thiophen-3-ylacetyl)amino]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22480074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).