4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide

C23H16FN3O2 — CID 23589802

IUPAC4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F
InChIInChI=1S/C23H16FN3O2/c24-21-18(23(28)25-13-17-6-3-11-29-17)9-10-19-20(21)22(27-26-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyOHQZIMSDGKWMLQ-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.05
Rot. Bonds4

About 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide

4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide (PubChem CID 23589802) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
PubChem CID23589802
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F
InChIInChI=1S/C23H16FN3O2/c24-21-18(23(28)25-13-17-6-3-11-29-17)9-10-19-20(21)22(27-26-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-12H,13H2,(H,25,28)(H,26,27)
InChIKeyOHQZIMSDGKWMLQ-UHFFFAOYSA-N
XLogP5.05
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide (CID 23589802) is 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The InChIKey is OHQZIMSDGKWMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2/c24-21-18(23(28)25-13-17-6-3-11-29-17)9-10-19-20(21)22(27-26-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-12H,13H2,(H,25,28)(H,26,27).
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).