2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one

C25H21N3O — CID 146591462

IUPAC2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=C1NCCc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C25H21N3O/c29-24-22-18-28(27-23(22)16-17-26-24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,26,29)
InChIKeyUPQFBAWTCRNXCH-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.01
Rot. Bonds4

About 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one

2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 146591462) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID146591462
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESO=C1NCCc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C25H21N3O/c29-24-22-18-28(27-23(22)16-17-26-24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,26,29)
InChIKeyUPQFBAWTCRNXCH-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.01
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 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one (CID 146591462) is 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one is O=C1NCCc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is UPQFBAWTCRNXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c29-24-22-18-28(27-23(22)16-17-26-24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,26,29).
What are the key properties of 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one?
2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trityl-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 146591462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).