3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C21H17N3O2 — CID 134809542

IUPAC3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cc4ccccc4o3)n[nH]c2CN1Cc1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20-11-16-17(13-24(20)12-14-6-2-1-3-7-14)22-23-21(16)19-10-15-8-4-5-9-18(15)26-19/h1-10H,11-13H2,(H,22,23)
InChIKeyBPINQKPJCOJFNS-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.91
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134809542) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134809542
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cc4ccccc4o3)n[nH]c2CN1Cc1ccccc1
InChIInChI=1S/C21H17N3O2/c25-20-11-16-17(13-24(20)12-14-6-2-1-3-7-14)22-23-21(16)19-10-15-8-4-5-9-18(15)26-19/h1-10H,11-13H2,(H,22,23)
InChIKeyBPINQKPJCOJFNS-UHFFFAOYSA-N
XLogP3.91
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134809542) is 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3cc4ccccc4o3)n[nH]c2CN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is BPINQKPJCOJFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20-11-16-17(13-24(20)12-14-6-2-1-3-7-14)22-23-21(16)19-10-15-8-4-5-9-18(15)26-19/h1-10H,11-13H2,(H,22,23).
What are the key properties of 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 343.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-6-benzyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134809542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).