6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

C21H17N5O — CID 136653617

IUPAC6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESO=C1Nc2cc3[nH]nc(-c4ccncc4)c3cc2CN1Cc1ccccc1
InChIInChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)
InChIKeyODIUJYZERXVGEI-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.17
Rot. Bonds3

About 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (PubChem CID 136653617) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

Molecular Properties

Compound Name6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
PubChem CID136653617
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESO=C1Nc2cc3[nH]nc(-c4ccncc4)c3cc2CN1Cc1ccccc1
InChIInChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)
InChIKeyODIUJYZERXVGEI-UHFFFAOYSA-N
XLogP4.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The IUPAC name of 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (CID 136653617) is 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.
What is the SMILES notation for 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The canonical SMILES for 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is O=C1Nc2cc3[nH]nc(-c4ccncc4)c3cc2CN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The InChIKey is ODIUJYZERXVGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25).
What are the key properties of 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one has a molecular weight of 355.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-pyridin-4-yl-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is sourced from PubChem (CID 136653617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).