6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one

C25H18ClN3O — CID 118272301

IUPAC6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH]n(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12
InChIInChI=1S/C25H18ClN3O/c26-23-16-22-21(17-27-23)24(30)28-29(22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,28,30)
InChIKeyRZPUFSGJEWAMHW-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.22
Rot. Bonds4

About 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one

6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 118272301) has the molecular formula C25H18ClN3O and a molecular weight of 411.89 g/mol. Its IUPAC name is 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID118272301
Molecular FormulaC25H18ClN3O
Molecular Weight411.89 g/mol
Exact Mass411.11
IUPAC Name6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH]n(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12
InChIInChI=1S/C25H18ClN3O/c26-23-16-22-21(17-27-23)24(30)28-29(22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,28,30)
InChIKeyRZPUFSGJEWAMHW-UHFFFAOYSA-N
XLogP5.22
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one (CID 118272301) is 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one is O=c1[nH]n(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is RZPUFSGJEWAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O/c26-23-16-22-21(17-27-23)24(30)28-29(22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,(H,28,30).
What are the key properties of 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one?
6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 411.89 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-trityl-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 118272301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).