3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol

C15H13Cl2N3O2 — CID 170426667

IUPAC3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol
SMILESOC1CC(Oc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H13Cl2N3O2/c16-11-3-12(22-9-1-8(21)2-9)13-10(7-4-19-20-5-7)6-18-15(13)14(11)17/h3-6,8-9,18,21H,1-2H2,(H,19,20)
InChIKeySWKQKNGBPXOPFP-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.77
Rot. Bonds3

About 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol (PubChem CID 170426667) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol
PubChem CID170426667
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol
SMILESOC1CC(Oc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H13Cl2N3O2/c16-11-3-12(22-9-1-8(21)2-9)13-10(7-4-19-20-5-7)6-18-15(13)14(11)17/h3-6,8-9,18,21H,1-2H2,(H,19,20)
InChIKeySWKQKNGBPXOPFP-UHFFFAOYSA-N
XLogP3.77
TPSA73.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol?
The IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol (CID 170426667) is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol.
What is the SMILES notation for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol?
The canonical SMILES for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol is OC1CC(Oc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1.
What is the InChIKey of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol?
The InChIKey is SWKQKNGBPXOPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c16-11-3-12(22-9-1-8(21)2-9)13-10(7-4-19-20-5-7)6-18-15(13)14(11)17/h3-6,8-9,18,21H,1-2H2,(H,19,20).
What are the key properties of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol?
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol has a molecular weight of 338.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]cyclobutan-1-ol is sourced from PubChem (CID 170426667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).