6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C23H19N5O2 — CID 166210200

IUPAC6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc2cc(CNc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2c1
InChIInChI=1S/C23H19N5O2/c1-30-19-10-9-16-11-15(7-8-17(16)12-19)13-24-23-26-21-20(22(29)27-23)14-25-28(21)18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H2,24,26,27,29)
InChIKeyZUQCOOYWRXGUPZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.88
Rot. Bonds5

About 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166210200) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166210200
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc2cc(CNc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2c1
InChIInChI=1S/C23H19N5O2/c1-30-19-10-9-16-11-15(7-8-17(16)12-19)13-24-23-26-21-20(22(29)27-23)14-25-28(21)18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H2,24,26,27,29)
InChIKeyZUQCOOYWRXGUPZ-UHFFFAOYSA-N
XLogP3.88
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166210200) is 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc2cc(CNc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2c1.
What is the InChIKey of 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZUQCOOYWRXGUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-30-19-10-9-16-11-15(7-8-17(16)12-19)13-24-23-26-21-20(22(29)27-23)14-25-28(21)18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H2,24,26,27,29).
What are the key properties of 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 397.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxynaphthalen-2-yl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166210200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).