1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C126H147F9N32O14 — CID 159071703

About 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 159071703) has the molecular formula C126H147F9N32O14 and a molecular weight of 2504.75 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 159071703
• Molecular Formula: C126H147F9N32O14
• Molecular Weight: 2504.75 g/mol
• Exact Mass: 2503.16
• IUPAC Name: 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C=C(C)N1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.CN(C)C(=O)N1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.CN(C)C(=O)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.CN1CCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CC1.Cc1ccc(OC(=O)N2CCCC(n3ncc4c(=O)[nH]c(CC5CCCC5)nc43)C2)cc1.O=C(c1ccccc1)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1
• InChI: InChI=1S/C25H22F3N5O3.C24H29N5O3.C21H23F3N6O3.C20H20F3N5O2.C19H28N6O2.C17H25N5O/c26-25(27,28)36-20-11-5-4-9-17(20)13-21-30-22-19(23(34)31-21)14-29-33(22)18-10-6-12-32(15-18)24(35)16-7-2-1-3-8-16;1-16-8-10-19(11-9-16)32-24(31)28-12-4-7-18(15-28)29-22-20(14-25-29)23(30)27-21(26-22)13-17-5-2-3-6-17;1-28(2)20(32)29-9-5-7-14(12-29)30-18-15(11-25-30)19(31)27-17(26-18)10-13-6-3-4-8-16(13)33-21(22,23)24;1-12(2)27-8-7-14(11-27)28-18-15(10-24-28)19(29)26-17(25-18)9-13-5-3-4-6-16(13)30-20(21,22)23;1-23(2)19(27)24-9-5-8-14(12-24)25-17-15(11-20-25)18(26)22-16(21-17)10-13-6-3-4-7-13;1-21-8-6-13(7-9-21)22-16-14(11-18-22)17(23)20-15(19-16)10-12-4-2-3-5-12/h1-5,7-9,11,14,18H,6,10,12-13,15H2,(H,30,31,34);8-11,14,17-18H,2-7,12-13,15H2,1H3,(H,26,27,30);3-4,6,8,11,14H,5,7,9-10,12H2,1-2H3,(H,26,27,31);3-6,10,14H,1,7-9,11H2,2H3,(H,25,26,29);11,13-14H,3-10,12H2,1-2H3,(H,21,22,26);11-13H,2-10H2,1H3,(H,19,20,23)
• InChIKey: JZSPPHCEAQPXER-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 512.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2504.75
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 159071703) is 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C(C)N1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.CN(C)C(=O)N1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.CN(C)C(=O)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.CN1CCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)CC1.Cc1ccc(OC(=O)N2CCCC(n3ncc4c(=O)[nH]c(CC5CCCC5)nc43)C2)cc1.O=C(c1ccccc1)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.

What is the InChIKey of 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is JZSPPHCEAQPXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3.C24H29N5O3.C21H23F3N6O3.C20H20F3N5O2.C19H28N6O2.C17H25N5O/c26-25(27,28)36-20-11-5-4-9-17(20)13-21-30-22-19(23(34)31-21)14-29-33(22)18-10-6-12-32(15-18)24(35)16-7-2-1-3-8-16;1-16-8-10-19(11-9-16)32-24(31)28-12-4-7-18(15-28)29-22-20(14-25-29)23(30)27-21(26-22)13-17-5-2-3-6-17;1-28(2)20(32)29-9-5-7-14(12-29)30-18-15(11-25-30)19(31)27-17(26-18)10-13-6-3-4-8-16(13)33-21(22,23)24;1-12(2)27-8-7-14(11-27)28-18-15(10-24-28)19(29)26-17(25-18)9-13-5-3-4-6-16(13)30-20(21,22)23;1-23(2)19(27)24-9-5-8-14(12-24)25-17-15(11-20-25)18(26)22-16(21-17)10-13-6-3-4-7-13;1-21-8-6-13(7-9-21)22-16-14(11-18-22)17(23)20-15(19-16)10-12-4-2-3-5-12/h1-5,7-9,11,14,18H,6,10,12-13,15H2,(H,30,31,34);8-11,14,17-18H,2-7,12-13,15H2,1H3,(H,26,27,30);3-4,6,8,11,14H,5,7,9-10,12H2,1-2H3,(H,26,27,31);3-6,10,14H,1,7-9,11H2,2H3,(H,25,26,29);11,13-14H,3-10,12H2,1-2H3,(H,21,22,26);11-13H,2-10H2,1H3,(H,19,20,23).

What are the key properties of 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2504.75 g/mol, XLogP of 18.69, 24 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide;N,N-dimethyl-3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxamide;(4-methylphenyl) 3-[6-(cyclopentylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;1-(1-prop-1-en-2-ylpyrrolidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 159071703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).