3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

C22H16N4O2 — CID 67396466

IUPAC3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccc(O)cc3)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O2/c27-16-10-8-14(9-11-16)13-18-19-20(25-24-18)17-7-4-12-23-21(17)26(22(19)28)15-5-2-1-3-6-15/h1-12,27H,13H2,(H,24,25)
InChIKeyUJNULPTZULKVQW-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.56
Rot. Bonds3

About 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 67396466) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID67396466
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccc(O)cc3)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C22H16N4O2/c27-16-10-8-14(9-11-16)13-18-19-20(25-24-18)17-7-4-12-23-21(17)26(22(19)28)15-5-2-1-3-6-15/h1-12,27H,13H2,(H,24,25)
InChIKeyUJNULPTZULKVQW-UHFFFAOYSA-N
XLogP3.56
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 67396466) is 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is O=c1c2c(Cc3ccc(O)cc3)[nH]nc2c2cccnc2n1-c1ccccc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is UJNULPTZULKVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c27-16-10-8-14(9-11-16)13-18-19-20(25-24-18)17-7-4-12-23-21(17)26(22(19)28)15-5-2-1-3-6-15/h1-12,27H,13H2,(H,24,25).
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 368.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 67396466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).