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

C17H18Cl2N6O — CID 137174656

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H18Cl2N6O/c1-17(20)5-7-25(8-6-17)16-21-14-11(15(26)22-16)13(23-24-14)9-3-2-4-10(18)12(9)19/h2-4H,5-8,20H2,1H3,(H2,21,22,23,24,26)
InChIKeyIQTJXOXWFRJRQG-UHFFFAOYSA-N
MW393.28 g/mol
LogP2.94
Rot. Bonds2

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

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137174656) has the molecular formula C17H18Cl2N6O and a molecular weight of 393.28 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137174656
Molecular FormulaC17H18Cl2N6O
Molecular Weight393.28 g/mol
Exact Mass392.09
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H18Cl2N6O/c1-17(20)5-7-25(8-6-17)16-21-14-11(15(26)22-16)13(23-24-14)9-3-2-4-10(18)12(9)19/h2-4H,5-8,20H2,1H3,(H2,21,22,23,24,26)
InChIKeyIQTJXOXWFRJRQG-UHFFFAOYSA-N
XLogP2.94
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 52.94
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
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-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124148120
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-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137174656) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is IQTJXOXWFRJRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6O/c1-17(20)5-7-25(8-6-17)16-21-14-11(15(26)22-16)13(23-24-14)9-3-2-4-10(18)12(9)19/h2-4H,5-8,20H2,1H3,(H2,21,22,23,24,26).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 393.28 g/mol, XLogP of 2.94, 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-(2,3-dichlorophenyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137174656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).