6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide

C19H14FN3O2S — CID 59796938

IUPAC6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F
InChIInChI=1S/C19H14FN3O2S/c20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12/h1-10H,11H2,(H,21,24)(H,22,23)/b6-5+
InChIKeyATKHRORYZUOJOM-AATRIKPKSA-N
MW367.41 g/mol
LogP4.46
Rot. Bonds5

About 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide

6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide (PubChem CID 59796938) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
PubChem CID59796938
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F
InChIInChI=1S/C19H14FN3O2S/c20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12/h1-10H,11H2,(H,21,24)(H,22,23)/b6-5+
InChIKeyATKHRORYZUOJOM-AATRIKPKSA-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 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide (CID 59796938) is 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.
What is the InChIKey of 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
The InChIKey is ATKHRORYZUOJOM-AATRIKPKSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12/h1-10H,11H2,(H,21,24)(H,22,23)/b6-5+.
What are the key properties of 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-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 6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59796938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).