1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C20H18N4O2 — CID 47085998

IUPAC1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3cccc(OCc4ccccc4)c3)cnc21
InChIInChI=1S/C20H18N4O2/c1-23-19-18(11-22-23)20(25)24(14-21-19)12-16-8-5-9-17(10-16)26-13-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3
InChIKeyYULNQOYNFJVOAC-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.76
Rot. Bonds5

About 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 47085998) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID47085998
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3cccc(OCc4ccccc4)c3)cnc21
InChIInChI=1S/C20H18N4O2/c1-23-19-18(11-22-23)20(25)24(14-21-19)12-16-8-5-9-17(10-16)26-13-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3
InChIKeyYULNQOYNFJVOAC-UHFFFAOYSA-N
XLogP2.76
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 51107868
5-[(3-bromo-4-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17408906
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63746275
5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110884840
5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 126803622
(3-fluorophenyl)methyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46684709
5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 163355192
5-benzyl-1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7532859
5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 136542470
N-(1,2-diphenylethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24682393
1-(3-chlorophenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243768

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 47085998) is 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(Cc3cccc(OCc4ccccc4)c3)cnc21.
What is the InChIKey of 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YULNQOYNFJVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23-19-18(11-22-23)20(25)24(14-21-19)12-16-8-5-9-17(10-16)26-13-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 346.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 47085998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).