N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide

C26H20FN3O2 — CID 22261017

IUPACN-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F
InChIInChI=1S/C26H20FN3O2/c1-32-24-9-5-4-8-20(24)26(31)28-15-19-13-21-23(14-22(19)27)29-30-25(21)18-11-10-16-6-2-3-7-17(16)12-18/h2-14H,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyQVEBZMRIXUEXFU-UHFFFAOYSA-N
MW425.46 g/mol
LogP5.46
Rot. Bonds5

About N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide

N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide (PubChem CID 22261017) has the molecular formula C26H20FN3O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide
PubChem CID22261017
Molecular FormulaC26H20FN3O2
Molecular Weight425.46 g/mol
Exact Mass425.15
IUPAC NameN-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F
InChIInChI=1S/C26H20FN3O2/c1-32-24-9-5-4-8-20(24)26(31)28-15-19-13-21-23(14-22(19)27)29-30-25(21)18-11-10-16-6-2-3-7-17(16)12-18/h2-14H,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyQVEBZMRIXUEXFU-UHFFFAOYSA-N
XLogP5.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.46
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide (CID 22261017) is N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.
What is the InChIKey of N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide?
The InChIKey is QVEBZMRIXUEXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2/c1-32-24-9-5-4-8-20(24)26(31)28-15-19-13-21-23(14-22(19)27)29-30-25(21)18-11-10-16-6-2-3-7-17(16)12-18/h2-14H,15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide?
N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide has a molecular weight of 425.46 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 22261017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).