8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole

C24H25F2N3O — CID 146486247

IUPAC8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole
SMILESCc1cc(-n2c(C(C)C)cc3c(F)c4nn(C5CCCCO5)cc4cc32)ccc1F
InChIInChI=1S/C24H25F2N3O/c1-14(2)20-12-18-21(29(20)17-7-8-19(25)15(3)10-17)11-16-13-28(27-24(16)23(18)26)22-6-4-5-9-30-22/h7-8,10-14,22H,4-6,9H2,1-3H3
InChIKeyAJDCHCYIEZEYJY-UHFFFAOYSA-N
MW409.48 g/mol
LogP6.39
Rot. Bonds3

About 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole

8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole (PubChem CID 146486247) has the molecular formula C24H25F2N3O and a molecular weight of 409.48 g/mol. Its IUPAC name is 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole.

Molecular Properties

Compound Name8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole
PubChem CID146486247
Molecular FormulaC24H25F2N3O
Molecular Weight409.48 g/mol
Exact Mass409.20
IUPAC Name8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole
SMILESCc1cc(-n2c(C(C)C)cc3c(F)c4nn(C5CCCCO5)cc4cc32)ccc1F
InChIInChI=1S/C24H25F2N3O/c1-14(2)20-12-18-21(29(20)17-7-8-19(25)15(3)10-17)11-16-13-28(27-24(16)23(18)26)22-6-4-5-9-30-22/h7-8,10-14,22H,4-6,9H2,1-3H3
InChIKeyAJDCHCYIEZEYJY-UHFFFAOYSA-N
XLogP6.39
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole?
The IUPAC name of 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole (CID 146486247) is 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole.
What is the SMILES notation for 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole?
The canonical SMILES for 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole is Cc1cc(-n2c(C(C)C)cc3c(F)c4nn(C5CCCCO5)cc4cc32)ccc1F.
What is the InChIKey of 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole?
The InChIKey is AJDCHCYIEZEYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O/c1-14(2)20-12-18-21(29(20)17-7-8-19(25)15(3)10-17)11-16-13-28(27-24(16)23(18)26)22-6-4-5-9-30-22/h7-8,10-14,22H,4-6,9H2,1-3H3.
What are the key properties of 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole?
8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole has a molecular weight of 409.48 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(4-fluoro-3-methylphenyl)-2-(oxan-2-yl)-6-propan-2-ylpyrrolo[2,3-f]indazole is sourced from PubChem (CID 146486247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).