3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol

C14H14Cl2N4O2 — CID 170427120

IUPAC3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C14H14Cl2N4O2/c15-10-1-11(17-4-8(22)6-21)12-9(7-2-19-20-3-7)5-18-14(12)13(10)16/h1-3,5,8,17-18,21-22H,4,6H2,(H,19,20)
InChIKeyKUNMBMHTKFJZDB-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.63
Rot. Bonds5

About 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol (PubChem CID 170427120) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol
PubChem CID170427120
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C14H14Cl2N4O2/c15-10-1-11(17-4-8(22)6-21)12-9(7-2-19-20-3-7)5-18-14(12)13(10)16/h1-3,5,8,17-18,21-22H,4,6H2,(H,19,20)
InChIKeyKUNMBMHTKFJZDB-UHFFFAOYSA-N
XLogP2.63
TPSA96.96 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 272
CID 170426886
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

Frequently Asked Questions

What is the IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol (CID 170427120) is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol is OCC(O)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol?
The InChIKey is KUNMBMHTKFJZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c15-10-1-11(17-4-8(22)6-21)12-9(7-2-19-20-3-7)5-18-14(12)13(10)16/h1-3,5,8,17-18,21-22H,4,6H2,(H,19,20).
What are the key properties of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol?
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]propane-1,2-diol has a molecular weight of 341.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 5 hydrogen bond donors, and 4 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]propane-1,2-diol is sourced from PubChem (CID 170427120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).