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

C24H21N5O2 — CID 166214960

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc2cc(CN(C)c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2c1
InChIInChI=1S/C24H21N5O2/c1-28(15-16-8-9-18-13-20(31-2)11-10-17(18)12-16)24-26-22-21(23(30)27-24)14-25-29(22)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,27,30)
InChIKeyNGZCHMIPPXOOCN-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.91
Rot. Bonds5

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

6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166214960) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166214960
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc2cc(CN(C)c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2c1
InChIInChI=1S/C24H21N5O2/c1-28(15-16-8-9-18-13-20(31-2)11-10-17(18)12-16)24-26-22-21(23(30)27-24)14-25-29(22)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,27,30)
InChIKeyNGZCHMIPPXOOCN-UHFFFAOYSA-N
XLogP3.91
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166214960) is 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc2cc(CN(C)c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)ccc2c1.
What is the InChIKey of 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NGZCHMIPPXOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-28(15-16-8-9-18-13-20(31-2)11-10-17(18)12-16)24-26-22-21(23(30)27-24)14-25-29(22)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,26,27,30).
What are the key properties of 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 411.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166214960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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