4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one

C26H28N4O3 — CID 118284403

IUPAC4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one
SMILESCC1(O)CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1
InChIInChI=1S/C26H28N4O3/c1-26(32)16-28(17-26)12-13-30-23-9-6-21(14-20(23)15-27-30)29-11-10-24(25(29)31)33-22-7-4-19(5-8-22)18-2-3-18/h4-10,14-15,18,32H,2-3,11-13,16-17H2,1H3
InChIKeyBFOQVVNLCSNXQA-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.29
Rot. Bonds7

About 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one

4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one (PubChem CID 118284403) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one
PubChem CID118284403
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one
SMILESCC1(O)CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1
InChIInChI=1S/C26H28N4O3/c1-26(32)16-28(17-26)12-13-30-23-9-6-21(14-20(23)15-27-30)29-11-10-24(25(29)31)33-22-7-4-19(5-8-22)18-2-3-18/h4-10,14-15,18,32H,2-3,11-13,16-17H2,1H3
InChIKeyBFOQVVNLCSNXQA-UHFFFAOYSA-N
XLogP3.29
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-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 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The IUPAC name of 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one (CID 118284403) is 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one is CC1(O)CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The InChIKey is BFOQVVNLCSNXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-26(32)16-28(17-26)12-13-30-23-9-6-21(14-20(23)15-27-30)29-11-10-24(25(29)31)33-22-7-4-19(5-8-22)18-2-3-18/h4-10,14-15,18,32H,2-3,11-13,16-17H2,1H3.
What are the key properties of 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one has a molecular weight of 444.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).