2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid

C16H11Cl2N5O2 — CID 170427143

IUPAC2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)cn1
InChIInChI=1S/C16H11Cl2N5O2/c17-13-2-1-11-12(9-3-19-20-4-9)7-23(16(11)15(13)18)10-5-21-22(6-10)8-14(24)25/h1-7H,8H2,(H,19,20)(H,24,25)
InChIKeyIGKAAVXHNPSHNW-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid

2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid (PubChem CID 170427143) has the molecular formula C16H11Cl2N5O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid
PubChem CID170427143
Molecular FormulaC16H11Cl2N5O2
Molecular Weight376.20 g/mol
Exact Mass375.03
IUPAC Name2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)cn1
InChIInChI=1S/C16H11Cl2N5O2/c17-13-2-1-11-12(9-3-19-20-4-9)7-23(16(11)15(13)18)10-5-21-22(6-10)8-14(24)25/h1-7H,8H2,(H,19,20)(H,24,25)
InChIKeyIGKAAVXHNPSHNW-UHFFFAOYSA-N
XLogP3.61
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid 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 274
CID 170426644
US20230391786, Example 154
CID 170426540
US20230391786, Example 311
CID 170426708
US20230391786, Example 178
CID 170426761
US20230391786, Example 8
CID 170426767
US20230391786, Example 47
CID 170426811
US20230391786, Example 196
CID 170426846
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855
US20230391786, Example 155
CID 170426879
US20230391786, Example 162
CID 170426887
US20230391786, Example 182
CID 170426891
US20230391786, Example 134
CID 170426932

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid (CID 170427143) is 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)cn1.
What is the InChIKey of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid?
The InChIKey is IGKAAVXHNPSHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O2/c17-13-2-1-11-12(9-3-19-20-4-9)7-23(16(11)15(13)18)10-5-21-22(6-10)8-14(24)25/h1-7H,8H2,(H,19,20)(H,24,25).
What are the key properties of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid?
2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid has a molecular weight of 376.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 170427143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).