6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C85H102F4N24O6 — CID 158434699

IUPAC6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=C1CC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CCO1.CCC(Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1)C(F)(F)F.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4F)nc32)C1
InChIInChI=1S/C18H20FN5O.C18H21N5O.C17H19N5O.C17H22N4O2.C15H20F3N5O/c1-23-8-4-6-13(11-23)24-17-14(10-20-24)18(25)22-16(21-17)9-12-5-2-3-7-15(12)19;1-22-9-5-8-14(12-22)23-17-15(11-19-23)18(24)21-16(20-17)10-13-6-3-2-4-7-13;1-21-8-7-13(11-21)22-16-14(10-18-22)17(23)20-15(19-16)9-12-5-3-2-4-6-12;1-11-8-13(6-7-23-11)21-16-14(10-18-21)17(22)20-15(19-16)9-12-4-2-3-5-12;1-3-9(15(16,17)18)6-12-20-13-11(14(24)21-12)7-19-23(13)10-4-5-22(2)8-10/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,21,22,25);2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,21,24);2-6,10,13H,7-9,11H2,1H3,(H,19,20,23);10,12-13H,1-9H2,(H,19,20,22);7,9-10H,3-6,8H2,1-2H3,(H,20,21,24)
InChIKeyHCBVAAJKRRMPQH-UHFFFAOYSA-N
MW1631.90 g/mol
LogP10.52
Rot. Bonds16

About 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158434699) has the molecular formula C85H102F4N24O6 and a molecular weight of 1631.90 g/mol. Its IUPAC name is 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID158434699
Molecular FormulaC85H102F4N24O6
Molecular Weight1631.90 g/mol
Exact Mass1630.84
IUPAC Name6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=C1CC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CCO1.CCC(Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1)C(F)(F)F.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4F)nc32)C1
InChIInChI=1S/C18H20FN5O.C18H21N5O.C17H19N5O.C17H22N4O2.C15H20F3N5O/c1-23-8-4-6-13(11-23)24-17-14(10-20-24)18(25)22-16(21-17)9-12-5-2-3-7-15(12)19;1-22-9-5-8-14(12-22)23-17-15(11-19-23)18(24)21-16(20-17)10-13-6-3-2-4-7-13;1-21-8-7-13(11-21)22-16-14(10-18-22)17(23)20-15(19-16)9-12-5-3-2-4-6-12;1-11-8-13(6-7-23-11)21-16-14(10-18-21)17(22)20-15(19-16)9-12-4-2-3-5-12;1-3-9(15(16,17)18)6-12-20-13-11(14(24)21-12)7-19-23(13)10-4-5-22(2)8-10/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,21,22,25);2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,21,24);2-6,10,13H,7-9,11H2,1H3,(H,19,20,23);10,12-13H,1-9H2,(H,19,20,22);7,9-10H,3-6,8H2,1-2H3,(H,20,21,24)
InChIKeyHCBVAAJKRRMPQH-UHFFFAOYSA-N
XLogP10.52
TPSA340.04 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001631.90
LogP ≤ 510.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137131667
6-(cyclobutylmethyl)-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-(2-ethylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(3-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 158202229
1-cyclopentyl-6-[(4-fluorophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-cyclopentyl-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[[4-methylidene-1-(oxolan-3-yl)-5H-pyrazolo[5,4-b]pyridin-6-yl]methyl]benzonitrile;1-(oxolan-3-yl)-6-(oxolan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxolan-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 158219227
6-butyl-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4,4-difluorocyclohexyl)-4-methylidene-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-b]pyridine;6-[(3,5-difluorophenyl)methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160949638
tert-butyl 3-(6-benzyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate;tert-butyl 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 3-[4-oxo-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 3-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(oxan-4-yl)-6-(1-phenylethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160989616
tert-butyl 3-[6-(cyclobutylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 3-[6-(2-methylpropyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;6-[(2-chloro-3,6-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(3,5-dichlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(3,5-dimethylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157165004
tert-butyl 3-(6-benzyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate;6-butyl-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-chlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-cyclopentylethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(1-phenylethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 162102411

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158434699) is 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C1CC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CCO1.CCC(Cc1nc2c(cnn2C2CCN(C)C2)c(=O)[nH]1)C(F)(F)F.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CN1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4F)nc32)C1.
What is the InChIKey of 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HCBVAAJKRRMPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O.C18H21N5O.C17H19N5O.C17H22N4O2.C15H20F3N5O/c1-23-8-4-6-13(11-23)24-17-14(10-20-24)18(25)22-16(21-17)9-12-5-2-3-7-15(12)19;1-22-9-5-8-14(12-22)23-17-15(11-19-23)18(24)21-16(20-17)10-13-6-3-2-4-7-13;1-21-8-7-13(11-21)22-16-14(10-18-22)17(23)20-15(19-16)9-12-5-3-2-4-6-12;1-11-8-13(6-7-23-11)21-16-14(10-18-21)17(22)20-15(19-16)9-12-4-2-3-5-12;1-3-9(15(16,17)18)6-12-20-13-11(14(24)21-12)7-19-23(13)10-4-5-22(2)8-10/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,21,22,25);2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,20,21,24);2-6,10,13H,7-9,11H2,1H3,(H,19,20,23);10,12-13H,1-9H2,(H,19,20,22);7,9-10H,3-6,8H2,1-2H3,(H,20,21,24).
What are the key properties of 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1631.90 g/mol, XLogP of 10.52, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-methylpyrrolidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methylideneoxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpyrrolidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158434699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).