5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C30H24N4 — CID 67588144

IUPAC5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1
InChIInChI=1S/C30H24N4/c1-22-17-27-28(20-32-29(27)31-18-22)23-19-33-34(21-23)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,31,32)
InChIKeySTNJLAHSLSVQAS-UHFFFAOYSA-N
MW440.55 g/mol
LogP6.58
Rot. Bonds5

About 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67588144) has the molecular formula C30H24N4 and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID67588144
Molecular FormulaC30H24N4
Molecular Weight440.55 g/mol
Exact Mass440.20
IUPAC Name5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1
InChIInChI=1S/C30H24N4/c1-22-17-27-28(20-32-29(27)31-18-22)23-19-33-34(21-23)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,31,32)
InChIKeySTNJLAHSLSVQAS-UHFFFAOYSA-N
XLogP6.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 67588144) is 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1.
What is the InChIKey of 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is STNJLAHSLSVQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4/c1-22-17-27-28(20-32-29(27)31-18-22)23-19-33-34(21-23)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H,31,32).
What are the key properties of 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 440.55 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67588144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).