6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

C26H24N4O3 — CID 134810670

IUPAC6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=C(COc1ccccc1)N1CCc2c(n(Cc3cccnc3)n(-c3ccccc3)c2=O)C1
InChIInChI=1S/C26H24N4O3/c31-25(19-33-22-11-5-2-6-12-22)28-15-13-23-24(18-28)29(17-20-8-7-14-27-16-20)30(26(23)32)21-9-3-1-4-10-21/h1-12,14,16H,13,15,17-19H2
InChIKeyJUCMEYPRDLXXIP-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.05
Rot. Bonds6

About 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810670) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810670
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=C(COc1ccccc1)N1CCc2c(n(Cc3cccnc3)n(-c3ccccc3)c2=O)C1
InChIInChI=1S/C26H24N4O3/c31-25(19-33-22-11-5-2-6-12-22)28-15-13-23-24(18-28)29(17-20-8-7-14-27-16-20)30(26(23)32)21-9-3-1-4-10-21/h1-12,14,16H,13,15,17-19H2
InChIKeyJUCMEYPRDLXXIP-UHFFFAOYSA-N
XLogP3.05
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810670) is 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is O=C(COc1ccccc1)N1CCc2c(n(Cc3cccnc3)n(-c3ccccc3)c2=O)C1.
What is the InChIKey of 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is JUCMEYPRDLXXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(19-33-22-11-5-2-6-12-22)28-15-13-23-24(18-28)29(17-20-8-7-14-27-16-20)30(26(23)32)21-9-3-1-4-10-21/h1-12,14,16H,13,15,17-19H2.
What are the key properties of 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 440.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).