6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole

C15H12Cl2FN3O — CID 170426882

IUPAC6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole
SMILESFC1CC(Oc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H12Cl2FN3O/c16-11-3-12(22-9-1-8(18)2-9)13-10(7-4-20-21-5-7)6-19-15(13)14(11)17/h3-6,8-9,19H,1-2H2,(H,20,21)
InChIKeyWSJOTZVKEMUVBQ-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.74
Rot. Bonds3

About 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole

6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole (PubChem CID 170426882) has the molecular formula C15H12Cl2FN3O and a molecular weight of 340.19 g/mol. Its IUPAC name is 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole
PubChem CID170426882
Molecular FormulaC15H12Cl2FN3O
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole
SMILESFC1CC(Oc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H12Cl2FN3O/c16-11-3-12(22-9-1-8(18)2-9)13-10(7-4-20-21-5-7)6-19-15(13)14(11)17/h3-6,8-9,19H,1-2H2,(H,20,21)
InChIKeyWSJOTZVKEMUVBQ-UHFFFAOYSA-N
XLogP4.74
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole?
The IUPAC name of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole (CID 170426882) is 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole.
What is the SMILES notation for 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole?
The canonical SMILES for 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole is FC1CC(Oc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1.
What is the InChIKey of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole?
The InChIKey is WSJOTZVKEMUVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3O/c16-11-3-12(22-9-1-8(18)2-9)13-10(7-4-20-21-5-7)6-19-15(13)14(11)17/h3-6,8-9,19H,1-2H2,(H,20,21).
What are the key properties of 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole?
6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole has a molecular weight of 340.19 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(3-fluorocyclobutyl)oxy-3-(1H-pyrazol-4-yl)-1H-indole is sourced from PubChem (CID 170426882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).