5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

C28H26N2O2 — CID 118706759

IUPAC5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H26N2O2/c31-27-26-18-24(21-32-25-14-8-3-9-15-25)29-30(26)17-16-28(27,19-22-10-4-1-5-11-22)20-23-12-6-2-7-13-23/h1-15,18H,16-17,19-21H2
InChIKeyVZOWQQWWSVYJBQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.52
Rot. Bonds7

About 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (PubChem CID 118706759) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
PubChem CID118706759
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H26N2O2/c31-27-26-18-24(21-32-25-14-8-3-9-15-25)29-30(26)17-16-28(27,19-22-10-4-1-5-11-22)20-23-12-6-2-7-13-23/h1-15,18H,16-17,19-21H2
InChIKeyVZOWQQWWSVYJBQ-UHFFFAOYSA-N
XLogP5.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (CID 118706759) is 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is O=C1c2cc(COc3ccccc3)nn2CCC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The InChIKey is VZOWQQWWSVYJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c31-27-26-18-24(21-32-25-14-8-3-9-15-25)29-30(26)17-16-28(27,19-22-10-4-1-5-11-22)20-23-12-6-2-7-13-23/h1-15,18H,16-17,19-21H2.
What are the key properties of 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one has a molecular weight of 422.53 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 118706759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).