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

C19H16FN3O — CID 146522233

IUPAC5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole
SMILESCC1(c2cc3cc4[nH]ncc4cc3n2-c2ccc(F)cc2)COC1
InChIInChI=1S/C19H16FN3O/c1-19(10-24-11-19)18-8-12-6-16-13(9-21-22-16)7-17(12)23(18)15-4-2-14(20)3-5-15/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyBTPVEWDAWGQKSC-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.93
Rot. Bonds2

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

5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole (PubChem CID 146522233) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole
PubChem CID146522233
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole
SMILESCC1(c2cc3cc4[nH]ncc4cc3n2-c2ccc(F)cc2)COC1
InChIInChI=1S/C19H16FN3O/c1-19(10-24-11-19)18-8-12-6-16-13(9-21-22-16)7-17(12)23(18)15-4-2-14(20)3-5-15/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyBTPVEWDAWGQKSC-UHFFFAOYSA-N
XLogP3.93
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole?
The IUPAC name of 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole (CID 146522233) is 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole?
The canonical SMILES for 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole is CC1(c2cc3cc4[nH]ncc4cc3n2-c2ccc(F)cc2)COC1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole?
The InChIKey is BTPVEWDAWGQKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-19(10-24-11-19)18-8-12-6-16-13(9-21-22-16)7-17(12)23(18)15-4-2-14(20)3-5-15/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole?
5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole has a molecular weight of 321.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(3-methyloxetan-3-yl)-1H-pyrrolo[2,3-f]indazole is sourced from PubChem (CID 146522233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).