1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

C21H20N4O3 — CID 135768542

IUPAC1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1ncc2nc(-c3ccc(OCc4ccccc4)c(OC)c3)[nH]c(=O)c21
InChIInChI=1S/C21H20N4O3/c1-3-25-19-16(12-22-25)23-20(24-21(19)26)15-9-10-17(18(11-15)27-2)28-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,23,24,26)
InChIKeyIZKCVFFBSZAINA-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.39
Rot. Bonds6

About 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135768542) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135768542
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1ncc2nc(-c3ccc(OCc4ccccc4)c(OC)c3)[nH]c(=O)c21
InChIInChI=1S/C21H20N4O3/c1-3-25-19-16(12-22-25)23-20(24-21(19)26)15-9-10-17(18(11-15)27-2)28-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,23,24,26)
InChIKeyIZKCVFFBSZAINA-UHFFFAOYSA-N
XLogP3.39
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 69214242
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-3H-quinazolin-4-one
CID 137085073
2-(4-hydroxy-3-phenylmethoxyphenyl)-3H-quinazolin-4-one
CID 168550890
1-butyl-5-(2-methoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 142645339
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
2-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 135472158
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552184

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135768542) is 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCn1ncc2nc(-c3ccc(OCc4ccccc4)c(OC)c3)[nH]c(=O)c21.
What is the InChIKey of 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is IZKCVFFBSZAINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-25-19-16(12-22-25)23-20(24-21(19)26)15-9-10-17(18(11-15)27-2)28-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,23,24,26).
What are the key properties of 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 376.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135768542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).