N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C21H14FN3O2S — CID 22260745

IUPACN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F
InChIInChI=1S/C21H14FN3O2S/c22-20-15(23-18(26)11-13-5-3-9-28-13)8-7-14-19(20)21(25-24-14)17-10-12-4-1-2-6-16(12)27-17/h1-10H,11H2,(H,23,26)(H,24,25)
InChIKeyMMQHKXUMTMUAIK-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.36
Rot. Bonds4

About N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 22260745) has the molecular formula C21H14FN3O2S and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID22260745
Molecular FormulaC21H14FN3O2S
Molecular Weight391.43 g/mol
Exact Mass391.08
IUPAC NameN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F
InChIInChI=1S/C21H14FN3O2S/c22-20-15(23-18(26)11-13-5-3-9-28-13)8-7-14-19(20)21(25-24-14)17-10-12-4-1-2-6-16(12)27-17/h1-10H,11H2,(H,23,26)(H,24,25)
InChIKeyMMQHKXUMTMUAIK-UHFFFAOYSA-N
XLogP5.36
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 22260745) is N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is MMQHKXUMTMUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2S/c22-20-15(23-18(26)11-13-5-3-9-28-13)8-7-14-19(20)21(25-24-14)17-10-12-4-1-2-6-16(12)27-17/h1-10H,11H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 391.43 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 22260745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).