3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide

C21H18FN3OS — CID 23589685

IUPAC3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1cccs1
InChIInChI=1S/C21H18FN3OS/c1-13-10-19-18(20(25-24-19)14-4-2-5-15(22)11-14)12-17(13)21(26)23-8-7-16-6-3-9-27-16/h2-6,9-12H,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyKTTXQUNHFLAHGE-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.71
Rot. Bonds5

About 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (PubChem CID 23589685) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
PubChem CID23589685
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
SMILESCc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1cccs1
InChIInChI=1S/C21H18FN3OS/c1-13-10-19-18(20(25-24-19)14-4-2-5-15(22)11-14)12-17(13)21(26)23-8-7-16-6-3-9-27-16/h2-6,9-12H,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyKTTXQUNHFLAHGE-UHFFFAOYSA-N
XLogP4.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide
CID 135617784
3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
CID 23589708
4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589805
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589715
3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
CID 175236372
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
5-fluoro-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 46555986
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (CID 23589685) is 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide is Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1cccs1.
What is the InChIKey of 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The InChIKey is KTTXQUNHFLAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-13-10-19-18(20(25-24-19)14-4-2-5-15(22)11-14)12-17(13)21(26)23-8-7-16-6-3-9-27-16/h2-6,9-12H,7-8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).