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

C26H27N3O3 — CID 134805764

IUPAC3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3COC)ccc21
InChIInChI=1S/C26H27N3O3/c1-27-26(30)13-14-29-25-12-11-22(15-21(25)16-28-29)32-18-20-8-4-6-10-24(20)23-9-5-3-7-19(23)17-31-2/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,27,30)
InChIKeyDABBHRHMODUKGG-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.56
Rot. Bonds9

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

3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (PubChem CID 134805764) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
PubChem CID134805764
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3COC)ccc21
InChIInChI=1S/C26H27N3O3/c1-27-26(30)13-14-29-25-12-11-22(15-21(25)16-28-29)32-18-20-8-4-6-10-24(20)23-9-5-3-7-19(23)17-31-2/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,27,30)
InChIKeyDABBHRHMODUKGG-UHFFFAOYSA-N
XLogP4.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.56
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-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (CID 134805764) is 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1ncc2cc(OCc3ccccc3-c3ccccc3COC)ccc21.
What is the InChIKey of 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The InChIKey is DABBHRHMODUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-27-26(30)13-14-29-25-12-11-22(15-21(25)16-28-29)32-18-20-8-4-6-10-24(20)23-9-5-3-7-19(23)17-31-2/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,27,30).
What are the key properties of 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide has a molecular weight of 429.52 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-[2-(methoxymethyl)phenyl]phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 134805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).