8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole

C25H25F2N3O2 — CID 146522313

IUPAC8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)cc3c(F)c4nn(C5CCCCO5)cc4cc32)cc1
InChIInChI=1S/C25H25F2N3O2/c26-18-4-6-19(7-5-18)30-21(16-8-11-31-12-9-16)14-20-22(30)13-17-15-29(28-25(17)24(20)27)23-3-1-2-10-32-23/h4-7,13-16,23H,1-3,8-12H2
InChIKeyAACWJEBYMNOLAS-UHFFFAOYSA-N
MW437.49 g/mol
LogP5.85
Rot. Bonds3

About 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole

8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole (PubChem CID 146522313) has the molecular formula C25H25F2N3O2 and a molecular weight of 437.49 g/mol. Its IUPAC name is 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole.

Molecular Properties

Compound Name8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole
PubChem CID146522313
Molecular FormulaC25H25F2N3O2
Molecular Weight437.49 g/mol
Exact Mass437.19
IUPAC Name8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole
SMILESFc1ccc(-n2c(C3CCOCC3)cc3c(F)c4nn(C5CCCCO5)cc4cc32)cc1
InChIInChI=1S/C25H25F2N3O2/c26-18-4-6-19(7-5-18)30-21(16-8-11-31-12-9-16)14-20-22(30)13-17-15-29(28-25(17)24(20)27)23-3-1-2-10-32-23/h4-7,13-16,23H,1-3,8-12H2
InChIKeyAACWJEBYMNOLAS-UHFFFAOYSA-N
XLogP5.85
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole?
The IUPAC name of 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole (CID 146522313) is 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole.
What is the SMILES notation for 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole?
The canonical SMILES for 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole is Fc1ccc(-n2c(C3CCOCC3)cc3c(F)c4nn(C5CCCCO5)cc4cc32)cc1.
What is the InChIKey of 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole?
The InChIKey is AACWJEBYMNOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2/c26-18-4-6-19(7-5-18)30-21(16-8-11-31-12-9-16)14-20-22(30)13-17-15-29(28-25(17)24(20)27)23-3-1-2-10-32-23/h4-7,13-16,23H,1-3,8-12H2.
What are the key properties of 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole?
8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole has a molecular weight of 437.49 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(4-fluorophenyl)-2-(oxan-2-yl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazole is sourced from PubChem (CID 146522313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).