N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide

C16H18N4OS — CID 47024547

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
SMILESCN(C)C(CNC(=O)c1cccc2cn[nH]c12)c1ccsc1
InChIInChI=1S/C16H18N4OS/c1-20(2)14(12-6-7-22-10-12)9-17-16(21)13-5-3-4-11-8-18-19-15(11)13/h3-8,10,14H,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyOXVHXCCJISZRNB-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.66
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide (PubChem CID 47024547) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
PubChem CID47024547
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
SMILESCN(C)C(CNC(=O)c1cccc2cn[nH]c12)c1ccsc1
InChIInChI=1S/C16H18N4OS/c1-20(2)14(12-6-7-22-10-12)9-17-16(21)13-5-3-4-11-8-18-19-15(11)13/h3-8,10,14H,9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyOXVHXCCJISZRNB-UHFFFAOYSA-N
XLogP2.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylsulfonylbenzamide
CID 33090690
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-nitrobenzamide
CID 42548875
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide
CID 30856572
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976208
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide (CID 47024547) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide is CN(C)C(CNC(=O)c1cccc2cn[nH]c12)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide?
The InChIKey is OXVHXCCJISZRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-20(2)14(12-6-7-22-10-12)9-17-16(21)13-5-3-4-11-8-18-19-15(11)13/h3-8,10,14H,9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 47024547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).