3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C19H16ClN5O — CID 110171164

IUPAC3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESNc1nn(Cc2ccccc2)c2ncn(Cc3ccccc3Cl)c(=O)c12
InChIInChI=1S/C19H16ClN5O/c20-15-9-5-4-8-14(15)11-24-12-22-18-16(19(24)26)17(21)23-25(18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,21,23)
InChIKeyDTWJWMMSOJMKTK-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.93
Rot. Bonds4

About 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 110171164) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID110171164
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESNc1nn(Cc2ccccc2)c2ncn(Cc3ccccc3Cl)c(=O)c12
InChIInChI=1S/C19H16ClN5O/c20-15-9-5-4-8-14(15)11-24-12-22-18-16(19(24)26)17(21)23-25(18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,21,23)
InChIKeyDTWJWMMSOJMKTK-UHFFFAOYSA-N
XLogP2.93
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
6-[(2-chlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159317
3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53004401
3-[(2-chlorophenyl)methyl]-6-[(2-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 53331732
1-[(2-chlorophenyl)methyl]indazol-3-amine
CID 55104008
3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one
CID 561455
11-[(2-chlorophenyl)methyl]-5-phenyl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496674
3-[(2-chlorophenyl)methyl]-6-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 53331758
4-amino-2-benzyl-7-chlorophthalazin-1-one
CID 71763827
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
3-[(2-chlorophenyl)methyl]-6-[(2,5-difluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 53331752
3-[(2-chlorophenyl)methyl]-6-[(3,4-difluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 53331757

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 110171164) is 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is Nc1nn(Cc2ccccc2)c2ncn(Cc3ccccc3Cl)c(=O)c12.
What is the InChIKey of 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DTWJWMMSOJMKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c20-15-9-5-4-8-14(15)11-24-12-22-18-16(19(24)26)17(21)23-25(18)10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,21,23).
What are the key properties of 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 365.82 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 110171164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).