1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

C23H18N4O — CID 7160449

IUPAC1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(Cc4cccc5ccccc45)cnc32)cc1
InChIInChI=1S/C23H18N4O/c1-16-9-11-19(12-10-16)27-22-21(13-25-27)23(28)26(15-24-22)14-18-7-4-6-17-5-2-3-8-20(17)18/h2-13,15H,14H2,1H3
InChIKeyKDNFSNSCFOQZBM-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7160449) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7160449
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(Cc4cccc5ccccc45)cnc32)cc1
InChIInChI=1S/C23H18N4O/c1-16-9-11-19(12-10-16)27-22-21(13-25-27)23(28)26(15-24-22)14-18-7-4-6-17-5-2-3-8-20(17)18/h2-13,15H,14H2,1H3
InChIKeyKDNFSNSCFOQZBM-UHFFFAOYSA-N
XLogP4.09
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-naphthalen-1-ylpropanamide
CID 16883207
3-(3-methylphenyl)-6-(naphthalen-1-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7476241
5-(cyclopropylmethyl)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155947667
5-[[2-(difluoromethoxy)phenyl]methyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 24604170
5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679714
ethyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 7160453
5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 39976610
2-methyl-N-[2-[5-(naphthalen-1-ylmethyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 40908650
1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 6623238
3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylquinolin-4-yl)propanamide
CID 16883244
5-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160468

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7160449) is 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(Cc4cccc5ccccc45)cnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KDNFSNSCFOQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-16-9-11-19(12-10-16)27-22-21(13-25-27)23(28)26(15-24-22)14-18-7-4-6-17-5-2-3-8-20(17)18/h2-13,15H,14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 366.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(naphthalen-1-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7160449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).