6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C23H19N3O — CID 134806502

IUPAC6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc4ccccc34)n[nH]c2CN1Cc1ccccc1
InChIInChI=1S/C23H19N3O/c27-22-13-20-21(15-26(22)14-16-7-2-1-3-8-16)24-25-23(20)19-12-6-10-17-9-4-5-11-18(17)19/h1-12H,13-15H2,(H,24,25)
InChIKeyXWKADZFPQUZJRA-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.31
Rot. Bonds3

About 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134806502) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134806502
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc4ccccc34)n[nH]c2CN1Cc1ccccc1
InChIInChI=1S/C23H19N3O/c27-22-13-20-21(15-26(22)14-16-7-2-1-3-8-16)24-25-23(20)19-12-6-10-17-9-4-5-11-18(17)19/h1-12H,13-15H2,(H,24,25)
InChIKeyXWKADZFPQUZJRA-UHFFFAOYSA-N
XLogP4.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134806502) is 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3cccc4ccccc34)n[nH]c2CN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is XWKADZFPQUZJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c27-22-13-20-21(15-26(22)14-16-7-2-1-3-8-16)24-25-23(20)19-12-6-10-17-9-4-5-11-18(17)19/h1-12H,13-15H2,(H,24,25).
What are the key properties of 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 353.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-naphthalen-1-yl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134806502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).