6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine

C31H27N5 — CID 162148195

IUPAC6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine
SMILESCCc1cnc2c(-c3cnn(C)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C31H27N5/c1-3-23-19-28-30(32-20-23)29(24-21-33-35(2)22-24)34-36(28)31(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22H,3H2,1-2H3
InChIKeyZKVQSZJGUSPCBA-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.23
Rot. Bonds6

About 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine

6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine (PubChem CID 162148195) has the molecular formula C31H27N5 and a molecular weight of 469.59 g/mol. Its IUPAC name is 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine
PubChem CID162148195
Molecular FormulaC31H27N5
Molecular Weight469.59 g/mol
Exact Mass469.23
IUPAC Name6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine
SMILESCCc1cnc2c(-c3cnn(C)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C31H27N5/c1-3-23-19-28-30(32-20-23)29(24-21-33-35(2)22-24)34-36(28)31(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22H,3H2,1-2H3
InChIKeyZKVQSZJGUSPCBA-UHFFFAOYSA-N
XLogP6.23
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine?
The IUPAC name of 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine (CID 162148195) is 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine.
What is the SMILES notation for 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine?
The canonical SMILES for 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine is CCc1cnc2c(-c3cnn(C)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine?
The InChIKey is ZKVQSZJGUSPCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5/c1-3-23-19-28-30(32-20-23)29(24-21-33-35(2)22-24)34-36(28)31(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22H,3H2,1-2H3.
What are the key properties of 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine?
6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine has a molecular weight of 469.59 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(1-methylpyrazol-4-yl)-1-tritylpyrazolo[4,3-b]pyridine is sourced from PubChem (CID 162148195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).