1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one

C23H18N4O — CID 19102732

IUPAC1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one
SMILESCc1nn(Cc2ccccc2)c2c1c(=O)n(-c1ccccc1)c1ncccc21
InChIInChI=1S/C23H18N4O/c1-16-20-21(26(25-16)15-17-9-4-2-5-10-17)19-13-8-14-24-22(19)27(23(20)28)18-11-6-3-7-12-18/h2-14H,15H2,1H3
InChIKeyLAJWRCJPPSZFOU-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.09
Rot. Bonds3

About 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one

1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 19102732) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one
PubChem CID19102732
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one
SMILESCc1nn(Cc2ccccc2)c2c1c(=O)n(-c1ccccc1)c1ncccc21
InChIInChI=1S/C23H18N4O/c1-16-20-21(26(25-16)15-17-9-4-2-5-10-17)19-13-8-14-24-22(19)27(23(20)28)18-11-6-3-7-12-18/h2-14H,15H2,1H3
InChIKeyLAJWRCJPPSZFOU-UHFFFAOYSA-N
XLogP4.09
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one (CID 19102732) is 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one is Cc1nn(Cc2ccccc2)c2c1c(=O)n(-c1ccccc1)c1ncccc21.
What is the InChIKey of 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is LAJWRCJPPSZFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-16-20-21(26(25-16)15-17-9-4-2-5-10-17)19-13-8-14-24-22(19)27(23(20)28)18-11-6-3-7-12-18/h2-14H,15H2,1H3.
What are the key properties of 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one?
1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 366.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-5-phenylpyrazolo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 19102732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).