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

C17H19ClN6O — CID 137215914

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H19ClN6O/c1-17(19)5-7-24(8-6-17)16-20-14-12(15(25)21-16)13(22-23-14)10-3-2-4-11(18)9-10/h2-4,9H,5-8,19H2,1H3,(H2,20,21,22,23,25)
InChIKeyHUNGUHBTUFJLAZ-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.28
Rot. Bonds2

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

6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137215914) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137215914
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H19ClN6O/c1-17(19)5-7-24(8-6-17)16-20-14-12(15(25)21-16)13(22-23-14)10-3-2-4-11(18)9-10/h2-4,9H,5-8,19H2,1H3,(H2,20,21,22,23,25)
InChIKeyHUNGUHBTUFJLAZ-UHFFFAOYSA-N
XLogP2.28
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.28
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-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124140943
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147915
6-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147957
6-(4-Amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137174610
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
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
6-[4-(Aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168284339
3-(2,3-Dichlorophenyl)-6-[4-methyl-4-(methylamino)piperidin-1-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168294730

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137215914) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4)c3c(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is HUNGUHBTUFJLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-17(19)5-7-24(8-6-17)16-20-14-12(15(25)21-16)13(22-23-14)10-3-2-4-11(18)9-10/h2-4,9H,5-8,19H2,1H3,(H2,20,21,22,23,25).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 358.83 g/mol, XLogP of 2.28, 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-(3-chlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137215914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).