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

C24H24N4O3 — CID 134805398

IUPAC3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cncc(OC)c3)ccc21
InChIInChI=1S/C24H24N4O3/c1-25-24(29)9-10-28-23-8-7-20(12-19(23)14-27-28)31-16-17-5-3-4-6-22(17)18-11-21(30-2)15-26-13-18/h3-8,11-15H,9-10,16H2,1-2H3,(H,25,29)
InChIKeyZJRXXQOFYJTDNF-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.82
Rot. Bonds8

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

3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (PubChem CID 134805398) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
PubChem CID134805398
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cncc(OC)c3)ccc21
InChIInChI=1S/C24H24N4O3/c1-25-24(29)9-10-28-23-8-7-20(12-19(23)14-27-28)31-16-17-5-3-4-6-22(17)18-11-21(30-2)15-26-13-18/h3-8,11-15H,9-10,16H2,1-2H3,(H,25,29)
InChIKeyZJRXXQOFYJTDNF-UHFFFAOYSA-N
XLogP3.82
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide (CID 134805398) is 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1ncc2cc(OCc3ccccc3-c3cncc(OC)c3)ccc21.
What is the InChIKey of 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
The InChIKey is ZJRXXQOFYJTDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-25-24(29)9-10-28-23-8-7-20(12-19(23)14-27-28)31-16-17-5-3-4-6-22(17)18-11-21(30-2)15-26-13-18/h3-8,11-15H,9-10,16H2,1-2H3,(H,25,29).
What are the key properties of 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide?
3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide has a molecular weight of 416.48 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(5-methoxy-3-pyridinyl)phenyl]methoxy]indazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 134805398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).