4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol

C24H28FN3O3 — CID 137471169

IUPAC4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol
SMILESCC(C)(Oc1cc(-c2ccc(O)c(F)c2)cc2c1cnn2C1CCCCO1)C1CNC1
InChIInChI=1S/C24H28FN3O3/c1-24(2,17-12-26-13-17)31-22-11-16(15-6-7-21(29)19(25)9-15)10-20-18(22)14-27-28(20)23-5-3-4-8-30-23/h6-7,9-11,14,17,23,26,29H,3-5,8,12-13H2,1-2H3
InChIKeyQVWPTOTWFJCLAL-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.62
Rot. Bonds5

About 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol

4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol (PubChem CID 137471169) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol
PubChem CID137471169
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol
SMILESCC(C)(Oc1cc(-c2ccc(O)c(F)c2)cc2c1cnn2C1CCCCO1)C1CNC1
InChIInChI=1S/C24H28FN3O3/c1-24(2,17-12-26-13-17)31-22-11-16(15-6-7-21(29)19(25)9-15)10-20-18(22)14-27-28(20)23-5-3-4-8-30-23/h6-7,9-11,14,17,23,26,29H,3-5,8,12-13H2,1-2H3
InChIKeyQVWPTOTWFJCLAL-UHFFFAOYSA-N
XLogP4.62
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol 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-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
The IUPAC name of 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol (CID 137471169) is 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol is CC(C)(Oc1cc(-c2ccc(O)c(F)c2)cc2c1cnn2C1CCCCO1)C1CNC1.
What is the InChIKey of 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
The InChIKey is QVWPTOTWFJCLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-24(2,17-12-26-13-17)31-22-11-16(15-6-7-21(29)19(25)9-15)10-20-18(22)14-27-28(20)23-5-3-4-8-30-23/h6-7,9-11,14,17,23,26,29H,3-5,8,12-13H2,1-2H3.
What are the key properties of 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol has a molecular weight of 425.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(azetidin-3-yl)propan-2-yloxy]-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol is sourced from PubChem (CID 137471169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).