1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid

C25H18N6O2 — CID 166457776

IUPAC1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid
SMILESCC(C)n1cc(C#N)c2cc(-n3cc(C#N)c4cc(-n5cc(C(=O)O)cn5)ccc43)ccc21
InChIInChI=1S/C25H18N6O2/c1-15(2)29-12-16(9-26)21-7-19(3-5-23(21)29)30-13-17(10-27)22-8-20(4-6-24(22)30)31-14-18(11-28-31)25(32)33/h3-8,11-15H,1-2H3,(H,32,33)
InChIKeyZVLJKARCGUCFLS-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.79
Rot. Bonds4

About 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid

1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid (PubChem CID 166457776) has the molecular formula C25H18N6O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid
PubChem CID166457776
Molecular FormulaC25H18N6O2
Molecular Weight434.46 g/mol
Exact Mass434.15
IUPAC Name1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid
SMILESCC(C)n1cc(C#N)c2cc(-n3cc(C#N)c4cc(-n5cc(C(=O)O)cn5)ccc43)ccc21
InChIInChI=1S/C25H18N6O2/c1-15(2)29-12-16(9-26)21-7-19(3-5-23(21)29)30-13-17(10-27)22-8-20(4-6-24(22)30)31-14-18(11-28-31)25(32)33/h3-8,11-15H,1-2H3,(H,32,33)
InChIKeyZVLJKARCGUCFLS-UHFFFAOYSA-N
XLogP4.79
TPSA112.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid (CID 166457776) is 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid is CC(C)n1cc(C#N)c2cc(-n3cc(C#N)c4cc(-n5cc(C(=O)O)cn5)ccc43)ccc21.
What is the InChIKey of 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid?
The InChIKey is ZVLJKARCGUCFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2/c1-15(2)29-12-16(9-26)21-7-19(3-5-23(21)29)30-13-17(10-27)22-8-20(4-6-24(22)30)31-14-18(11-28-31)25(32)33/h3-8,11-15H,1-2H3,(H,32,33).
What are the key properties of 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid?
1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid has a molecular weight of 434.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-1-(3-cyano-1-propan-2-ylindol-5-yl)indol-5-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 166457776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).