6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C17H20N6O — CID 137174610

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4ccccc4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H20N6O/c1-17(18)7-9-23(10-8-17)16-19-14-12(15(24)20-16)13(21-22-14)11-5-3-2-4-6-11/h2-6H,7-10,18H2,1H3,(H2,19,20,21,22,24)
InChIKeyGBCOXOBOMNUAAO-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.63
Rot. Bonds2

About 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137174610) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137174610
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4ccccc4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H20N6O/c1-17(18)7-9-23(10-8-17)16-19-14-12(15(24)20-16)13(21-22-14)11-5-3-2-4-6-11/h2-6H,7-10,18H2,1H3,(H2,19,20,21,22,24)
InChIKeyGBCOXOBOMNUAAO-UHFFFAOYSA-N
XLogP1.63
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124140941
6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137215914
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135992006
5-Benzyl-4,8,11,11-tetramethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 9883678
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147915
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137174656
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137215915
(11R,15S)-5-benzyl-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 44357876
2-butyl-7,7-dimethyl-N-[3-(4-methylphenyl)pentan-3-yl]-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 136141560
6-[(4S)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168270193
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168275544
3-(2,3-Dichlorophenyl)-6-[4-(dimethylamino)-4-methylpiperidin-1-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168275995

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137174610) is 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CC1(N)CCN(c2nc3n[nH]c(-c4ccccc4)c3c(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is GBCOXOBOMNUAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(18)7-9-23(10-8-17)16-19-14-12(15(24)20-16)13(21-22-14)11-5-3-2-4-6-11/h2-6H,7-10,18H2,1H3,(H2,19,20,21,22,24).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 324.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137174610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).