N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide

C21H18FN3O2 — CID 22260760

IUPACN-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F
InChIInChI=1S/C21H18FN3O2/c1-27-9-8-20(26)23-19-11-16-18(12-17(19)22)24-25-21(16)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyORDNZDXFRVJYFJ-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.50
Rot. Bonds5

About N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide

N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide (PubChem CID 22260760) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide
PubChem CID22260760
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F
InChIInChI=1S/C21H18FN3O2/c1-27-9-8-20(26)23-19-11-16-18(12-17(19)22)24-25-21(16)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyORDNZDXFRVJYFJ-UHFFFAOYSA-N
XLogP4.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.50
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)-3-methoxypropanamide?
The IUPAC name of N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide (CID 22260760) is N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide.
What is the SMILES notation for N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide?
The canonical SMILES for N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide is COCCC(=O)Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.
What is the InChIKey of N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide?
The InChIKey is ORDNZDXFRVJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-27-9-8-20(26)23-19-11-16-18(12-17(19)22)24-25-21(16)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10-12H,8-9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide?
N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide has a molecular weight of 363.39 g/mol, XLogP of 4.50, 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)-3-methoxypropanamide is sourced from PubChem (CID 22260760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).