3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide

C21H14FN3O2S — CID 23589759

IUPAC3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C21H14FN3O2S/c22-16-10-17-15(9-14(16)21(26)23-11-13-5-3-7-27-13)20(25-24-17)19-8-12-4-1-2-6-18(12)28-19/h1-10H,11H2,(H,23,26)(H,24,25)
InChIKeyJXSAITTVUCRMNA-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.11
Rot. Bonds4

About 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589759) has the molecular formula C21H14FN3O2S and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589759
Molecular FormulaC21H14FN3O2S
Molecular Weight391.43 g/mol
Exact Mass391.08
IUPAC Name3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C21H14FN3O2S/c22-16-10-17-15(9-14(16)21(26)23-11-13-5-3-7-27-13)20(25-24-17)19-8-12-4-1-2-6-18(12)28-19/h1-10H,11H2,(H,23,26)(H,24,25)
InChIKeyJXSAITTVUCRMNA-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589759) is 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is JXSAITTVUCRMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2S/c22-16-10-17-15(9-14(16)21(26)23-11-13-5-3-7-27-13)20(25-24-17)19-8-12-4-1-2-6-18(12)28-19/h1-10H,11H2,(H,23,26)(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).