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

C28H28N4O3 — CID 134810353

IUPAC1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=C(CCc1cccnc1)N1CCc2c(n(CCOc3ccccc3)n(-c3ccccc3)c2=O)C1
InChIInChI=1S/C28H28N4O3/c33-27(14-13-22-8-7-16-29-20-22)30-17-15-25-26(21-30)31(18-19-35-24-11-5-2-6-12-24)32(28(25)34)23-9-3-1-4-10-23/h1-12,16,20H,13-15,17-19,21H2
InChIKeyLRUCMQOWEUUXHM-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.63
Rot. Bonds8

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

1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810353) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810353
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=C(CCc1cccnc1)N1CCc2c(n(CCOc3ccccc3)n(-c3ccccc3)c2=O)C1
InChIInChI=1S/C28H28N4O3/c33-27(14-13-22-8-7-16-29-20-22)30-17-15-25-26(21-30)31(18-19-35-24-11-5-2-6-12-24)32(28(25)34)23-9-3-1-4-10-23/h1-12,16,20H,13-15,17-19,21H2
InChIKeyLRUCMQOWEUUXHM-UHFFFAOYSA-N
XLogP3.63
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810353) is 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is O=C(CCc1cccnc1)N1CCc2c(n(CCOc3ccccc3)n(-c3ccccc3)c2=O)C1.
What is the InChIKey of 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is LRUCMQOWEUUXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c33-27(14-13-22-8-7-16-29-20-22)30-17-15-25-26(21-30)31(18-19-35-24-11-5-2-6-12-24)32(28(25)34)23-9-3-1-4-10-23/h1-12,16,20H,13-15,17-19,21H2.
What are the key properties of 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 468.56 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).