4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one

C15H16ClN5O — CID 15698873

IUPAC4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one
SMILESCCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
InChIInChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3
InChIKeyGABYGSDOGLRHFZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.62
Rot. Bonds4

About 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one

4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 15698873) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one
PubChem CID15698873
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one
SMILESCCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O
InChIInChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3
InChIKeyGABYGSDOGLRHFZ-UHFFFAOYSA-N
XLogP2.62
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-5-butyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698869
4-[(E)-[5-(3-chloroanilino)-7-[2-(dimethylamino)ethylimino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136398157
4-[(E)-[5-(3-chloroanilino)-7-propan-2-yliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136398181
4-[(E)-[5-(3-chloroanilino)-7-[3-(dimethylamino)-2,2-dimethylpropyl]iminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136398270
4-[[(3E)-5-(3-chloroanilino)-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-7-ylidene]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 136428673
4-[(Z)-[5-(3-chloroanilino)-7-cyclopropylimino-6-methylpyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136484280
4-Amino-5-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698849
4-Amino-1-(2-chlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698850
4-Amino-1-(3-chloro-phenyl)-5-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
CID 15698851
4-Amino-1-(4-chlorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698852
4-Amino-1-(2-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698856
4-Amino-1-(3-fluorophenyl)-5-methylpyrazolo[3,4-d]pyrimidin-6-one
CID 15698857

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one (CID 15698873) is 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one is CCCCn1c(N)c2cnn(-c3cccc(Cl)c3)c2nc1=O.
What is the InChIKey of 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is GABYGSDOGLRHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-2-3-7-20-13(17)12-9-18-21(14(12)19-15(20)22)11-6-4-5-10(16)8-11/h4-6,8-9H,2-3,7,17H2,1H3.
What are the key properties of 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one?
4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 317.78 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-butyl-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 15698873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).