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

C20H18FN3O — CID 155369365

IUPAC5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1cccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)c1
InChIInChI=1S/C20H18FN3O/c21-16-2-1-3-17(11-16)24-19(13-4-6-25-7-5-13)9-14-8-18-15(10-20(14)24)12-22-23-18/h1-3,8-13H,4-7H2,(H,22,23)
InChIKeyMHDPGWSXRMYTRB-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.54
Rot. Bonds2

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

5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole (PubChem CID 155369365) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
PubChem CID155369365
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
SMILESFc1cccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)c1
InChIInChI=1S/C20H18FN3O/c21-16-2-1-3-17(11-16)24-19(13-4-6-25-7-5-13)9-14-8-18-15(10-20(14)24)12-22-23-18/h1-3,8-13H,4-7H2,(H,22,23)
InChIKeyMHDPGWSXRMYTRB-UHFFFAOYSA-N
XLogP4.54
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The IUPAC name of 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole (CID 155369365) is 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole.
What is the SMILES notation for 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The canonical SMILES for 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole is Fc1cccc(-n2c(C3CCOCC3)cc3cc4[nH]ncc4cc32)c1.
What is the InChIKey of 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
The InChIKey is MHDPGWSXRMYTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-2-1-3-17(11-16)24-19(13-4-6-25-7-5-13)9-14-8-18-15(10-20(14)24)12-22-23-18/h1-3,8-13H,4-7H2,(H,22,23).
What are the key properties of 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole?
5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole has a molecular weight of 335.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole is sourced from PubChem (CID 155369365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).