3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide

C22H16FN3O2S — CID 23589715

IUPAC3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F
InChIInChI=1S/C22H16FN3O2S/c23-20-15(22(27)24-10-9-14-5-3-11-29-14)7-8-16-19(20)21(26-25-16)18-12-13-4-1-2-6-17(13)28-18/h1-8,11-12H,9-10H2,(H,24,27)(H,25,26)
InChIKeyGFFBYEFMLNAWTP-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.15
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (PubChem CID 23589715) has the molecular formula C22H16FN3O2S and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
PubChem CID23589715
Molecular FormulaC22H16FN3O2S
Molecular Weight405.45 g/mol
Exact Mass405.09
IUPAC Name3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCCc1cccs1)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F
InChIInChI=1S/C22H16FN3O2S/c23-20-15(22(27)24-10-9-14-5-3-11-29-14)7-8-16-19(20)21(26-25-16)18-12-13-4-1-2-6-17(13)28-18/h1-8,11-12H,9-10H2,(H,24,27)(H,25,26)
InChIKeyGFFBYEFMLNAWTP-UHFFFAOYSA-N
XLogP5.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589805
3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589731
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589685
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972
3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium
CID 142112571
5-fluoro-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 46555986
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797339
2-methyl-6-phenyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 24532142
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 25285777
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (CID 23589715) is 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide is O=C(NCCc1cccs1)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F.
What is the InChIKey of 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The InChIKey is GFFBYEFMLNAWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2S/c23-20-15(22(27)24-10-9-14-5-3-11-29-14)7-8-16-19(20)21(26-25-16)18-12-13-4-1-2-6-17(13)28-18/h1-8,11-12H,9-10H2,(H,24,27)(H,25,26).
What are the key properties of 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).