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

C15H14Cl2N4O — CID 170426925

IUPAC3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol
SMILESOC1CC(Nc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H14Cl2N4O/c16-11-3-12(21-8-1-9(22)2-8)13-10(7-4-19-20-5-7)6-18-15(13)14(11)17/h3-6,8-9,18,21-22H,1-2H2,(H,19,20)
InChIKeyHISBHBOLJXEFBW-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.80
Rot. Bonds3

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

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol (PubChem CID 170426925) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol
PubChem CID170426925
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol
SMILESOC1CC(Nc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H14Cl2N4O/c16-11-3-12(21-8-1-9(22)2-8)13-10(7-4-19-20-5-7)6-18-15(13)14(11)17/h3-6,8-9,18,21-22H,1-2H2,(H,19,20)
InChIKeyHISBHBOLJXEFBW-UHFFFAOYSA-N
XLogP3.80
TPSA76.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

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CID 170426687
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CID 170426818
US20230391786, Example 225
CID 170426951
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620
US20230391786, Example 169
CID 170427659
US20230391786, Example 188
CID 170427672
US20230391786, Example 177
CID 170426522
US20230391786, Example 205
CID 170426614

Frequently Asked Questions

What is the IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol (CID 170426925) is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol is OC1CC(Nc2cc(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]amino]cyclobutan-1-ol?
The InChIKey is HISBHBOLJXEFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-11-3-12(21-8-1-9(22)2-8)13-10(7-4-19-20-5-7)6-18-15(13)14(11)17/h3-6,8-9,18,21-22H,1-2H2,(H,19,20).
What are the key properties of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol?
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]cyclobutan-1-ol has a molecular weight of 337.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 4 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]amino]cyclobutan-1-ol is sourced from PubChem (CID 170426925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).