5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole

C26H28FN3O2 — CID 146522167

IUPAC5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)c(CC3CCOCC3)c3cc4[nH]ncc4cc32)cc1
InChIInChI=1S/C26H28FN3O2/c27-20-1-3-21(4-2-20)30-25-14-19-16-28-29-24(19)15-22(25)23(13-17-5-9-31-10-6-17)26(30)18-7-11-32-12-8-18/h1-4,14-18H,5-13H2,(H,28,29)
InChIKeyBHQOJBJFDUBZFW-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.51
Rot. Bonds4

About 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole

5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole (PubChem CID 146522167) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole
PubChem CID146522167
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)c(CC3CCOCC3)c3cc4[nH]ncc4cc32)cc1
InChIInChI=1S/C26H28FN3O2/c27-20-1-3-21(4-2-20)30-25-14-19-16-28-29-24(19)15-22(25)23(13-17-5-9-31-10-6-17)26(30)18-7-11-32-12-8-18/h1-4,14-18H,5-13H2,(H,28,29)
InChIKeyBHQOJBJFDUBZFW-UHFFFAOYSA-N
XLogP5.51
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole 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 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole?
The IUPAC name of 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole (CID 146522167) is 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole?
The canonical SMILES for 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole is Fc1ccc(-n2c(C3CCOCC3)c(CC3CCOCC3)c3cc4[nH]ncc4cc32)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole?
The InChIKey is BHQOJBJFDUBZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c27-20-1-3-21(4-2-20)30-25-14-19-16-28-29-24(19)15-22(25)23(13-17-5-9-31-10-6-17)26(30)18-7-11-32-12-8-18/h1-4,14-18H,5-13H2,(H,28,29).
What are the key properties of 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole?
5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole has a molecular weight of 433.53 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(oxan-4-yl)-7-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-f]indazole is sourced from PubChem (CID 146522167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).