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

C17H17Cl2N5O — CID 137174612

IUPAC3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H17Cl2N5O/c1-9-5-7-24(8-6-9)17-20-15-12(16(25)21-17)14(22-23-15)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8H2,1H3,(H2,20,21,22,23,25)
InChIKeyDZAAZUAHXPHFGH-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.86
Rot. Bonds2

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

3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 137174612) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID137174612
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1
InChIInChI=1S/C17H17Cl2N5O/c1-9-5-7-24(8-6-9)17-20-15-12(16(25)21-17)14(22-23-15)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8H2,1H3,(H2,20,21,22,23,25)
InChIKeyDZAAZUAHXPHFGH-UHFFFAOYSA-N
XLogP3.86
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2,3-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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 137174612) is 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CC1CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3c(=O)[nH]2)CC1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is DZAAZUAHXPHFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O/c1-9-5-7-24(8-6-9)17-20-15-12(16(25)21-17)14(22-23-15)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8H2,1H3,(H2,20,21,22,23,25).
What are the key properties of 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 378.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-(4-methylpiperidin-1-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137174612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).