3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide

C25H25N3O3 — CID 134807322

IUPAC3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3OC)ccc21
InChIInChI=1S/C25H25N3O3/c1-26-25(29)13-14-28-23-12-11-20(15-19(23)16-27-28)31-17-18-7-3-4-8-21(18)22-9-5-6-10-24(22)30-2/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29)
InChIKeyFSFPYNPBHIQFQL-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.43
Rot. Bonds8

About 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide

3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (PubChem CID 134807322) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
PubChem CID134807322
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3OC)ccc21
InChIInChI=1S/C25H25N3O3/c1-26-25(29)13-14-28-23-12-11-20(15-19(23)16-27-28)31-17-18-7-3-4-8-21(18)22-9-5-6-10-24(22)30-2/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29)
InChIKeyFSFPYNPBHIQFQL-UHFFFAOYSA-N
XLogP4.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (CID 134807322) is 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3OC)ccc21.
What is the InChIKey of 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The InChIKey is FSFPYNPBHIQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-26-25(29)13-14-28-23-12-11-20(15-19(23)16-27-28)31-17-18-7-3-4-8-21(18)22-9-5-6-10-24(22)30-2/h3-12,15-16H,13-14,17H2,1-2H3,(H,26,29).
What are the key properties of 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide has a molecular weight of 415.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 134807322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).