1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

C26H26N4O3 — CID 25054550

IUPAC1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC3CC2CO3)c1
InChIInChI=1S/C26H26N4O3/c31-26-14-23(32-17-19-4-2-1-3-5-19)8-9-29(26)21-6-7-25-20(12-21)15-27-30(25)11-10-28-16-24-13-22(28)18-33-24/h1-9,12,14-15,22,24H,10-11,13,16-18H2
InChIKeyRGLFFOVIUUFFFB-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.24
Rot. Bonds7

About 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one

1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (PubChem CID 25054550) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
PubChem CID25054550
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC3CC2CO3)c1
InChIInChI=1S/C26H26N4O3/c31-26-14-23(32-17-19-4-2-1-3-5-19)8-9-29(26)21-6-7-25-20(12-21)15-27-30(25)11-10-28-16-24-13-22(28)18-33-24/h1-9,12,14-15,22,24H,10-11,13,16-18H2
InChIKeyRGLFFOVIUUFFFB-UHFFFAOYSA-N
XLogP3.24
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one (CID 25054550) is 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC3CC2CO3)c1.
What is the InChIKey of 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
The InChIKey is RGLFFOVIUUFFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-26-14-23(32-17-19-4-2-1-3-5-19)8-9-29(26)21-6-7-25-20(12-21)15-27-30(25)11-10-28-16-24-13-22(28)18-33-24/h1-9,12,14-15,22,24H,10-11,13,16-18H2.
What are the key properties of 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one?
1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one has a molecular weight of 442.52 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 25054550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).