6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine

C28H24ClN3O2 — CID 118272494

IUPAC6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCOCCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12
InChIInChI=1S/C28H24ClN3O2/c1-33-17-18-34-27-24-20-30-26(29)19-25(24)32(31-27)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20H,17-18H2,1H3
InChIKeyHVEFLEPIPBVSOU-UHFFFAOYSA-N
MW469.97 g/mol
LogP5.95
Rot. Bonds8

About 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine

6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 118272494) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID118272494
Molecular FormulaC28H24ClN3O2
Molecular Weight469.97 g/mol
Exact Mass469.16
IUPAC Name6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCOCCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12
InChIInChI=1S/C28H24ClN3O2/c1-33-17-18-34-27-24-20-30-26(29)19-25(24)32(31-27)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20H,17-18H2,1H3
InChIKeyHVEFLEPIPBVSOU-UHFFFAOYSA-N
XLogP5.95
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine (CID 118272494) is 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine is COCCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is HVEFLEPIPBVSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c1-33-17-18-34-27-24-20-30-26(29)19-25(24)32(31-27)28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,19-20H,17-18H2,1H3.
What are the key properties of 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine?
6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 469.97 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118272494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).