4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine

C36H29BrN4 — CID 154639326

IUPAC4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine
SMILESCC(C)c1c(-c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C36H29BrN4/c1-24(2)33-30-22-28(37)18-19-32(30)40-34(33)29-20-21-38-35-31(29)23-39-41(35)36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-24,40H,1-2H3
InChIKeyKVNWQLSSEYAXKE-UHFFFAOYSA-N
MW597.56 g/mol
LogP9.31
Rot. Bonds6

About 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine

4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine (PubChem CID 154639326) has the molecular formula C36H29BrN4 and a molecular weight of 597.56 g/mol. Its IUPAC name is 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine
PubChem CID154639326
Molecular FormulaC36H29BrN4
Molecular Weight597.56 g/mol
Exact Mass596.16
IUPAC Name4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine
SMILESCC(C)c1c(-c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]c2ccc(Br)cc12
InChIInChI=1S/C36H29BrN4/c1-24(2)33-30-22-28(37)18-19-32(30)40-34(33)29-20-21-38-35-31(29)23-39-41(35)36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-24,40H,1-2H3
InChIKeyKVNWQLSSEYAXKE-UHFFFAOYSA-N
XLogP9.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.56
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine 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 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine (CID 154639326) is 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine is CC(C)c1c(-c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]c2ccc(Br)cc12.
What is the InChIKey of 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine?
The InChIKey is KVNWQLSSEYAXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29BrN4/c1-24(2)33-30-22-28(37)18-19-32(30)40-34(33)29-20-21-38-35-31(29)23-39-41(35)36(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-24,40H,1-2H3.
What are the key properties of 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine?
4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine has a molecular weight of 597.56 g/mol, XLogP of 9.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-propan-2-yl-1H-indol-2-yl)-1-tritylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 154639326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).