4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide

C19H14FN3O2S — CID 59797188

IUPAC4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3cccs3)c2c1F
InChIInChI=1S/C19H14FN3O2S/c20-18-14(19(24)21-11-12-3-1-9-25-12)6-8-16-17(18)15(22-23-16)7-5-13-4-2-10-26-13/h1-10H,11H2,(H,21,24)(H,22,23)/b7-5+
InChIKeyVBZBZQKEGQVTPI-FNORWQNLSA-N
MW367.41 g/mol
LogP4.46
Rot. Bonds5

About 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide

4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide (PubChem CID 59797188) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
PubChem CID59797188
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3cccs3)c2c1F
InChIInChI=1S/C19H14FN3O2S/c20-18-14(19(24)21-11-12-3-1-9-25-12)6-8-16-17(18)15(22-23-16)7-5-13-4-2-10-26-13/h1-10H,11H2,(H,21,24)(H,22,23)/b7-5+
InChIKeyVBZBZQKEGQVTPI-FNORWQNLSA-N
XLogP4.46
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide (CID 59797188) is 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3cccs3)c2c1F.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The InChIKey is VBZBZQKEGQVTPI-FNORWQNLSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-18-14(19(24)21-11-12-3-1-9-25-12)6-8-16-17(18)15(22-23-16)7-5-13-4-2-10-26-13/h1-10H,11H2,(H,21,24)(H,22,23)/b7-5+.
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 59797188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).