3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide

C23H20FN3O4 — CID 135987982

IUPAC3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C23H20FN3O4/c24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17/h1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27)/b9-5+
InChIKeyKRWZKERMUNXIPS-WEVVVXLNSA-N
MW421.43 g/mol
LogP3.77
Rot. Bonds8

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide (PubChem CID 135987982) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
PubChem CID135987982
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO
InChIInChI=1S/C23H20FN3O4/c24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17/h1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27)/b9-5+
InChIKeyKRWZKERMUNXIPS-WEVVVXLNSA-N
XLogP3.77
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide (CID 135987982) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCO.
What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
The InChIKey is KRWZKERMUNXIPS-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H20FN3O4/c24-16-6-3-15(4-7-16)5-9-19-21-20(27-26-19)10-8-18(22(21)31-13-11-28)23(29)25-14-17-2-1-12-30-17/h1-10,12,28H,11,13-14H2,(H,25,29)(H,26,27)/b9-5+.
What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide?
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide is sourced from PubChem (CID 135987982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).