1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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

C128H141F9N30O14 — CID 159644120

About 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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 159644120) has the molecular formula C128H141F9N30O14 and a molecular weight of 2494.71 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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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: 159644120
• Molecular Formula: C128H141F9N30O14
• Molecular Weight: 2494.71 g/mol
• Exact Mass: 2493.11
• IUPAC Name: 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.COC(=O)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.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.C20H20F3N5O4.C20H20F3N5O2.C20H23N5O.C19H27N5O/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;1-31-19(30)27-8-4-6-13(11-27)28-17-14(10-24-28)18(29)26-16(25-17)9-12-5-2-3-7-15(12)32-20(21,22)23;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;1-14(2)24-10-6-9-16(13-24)25-19-17(12-21-25)20(26)23-18(22-19)11-15-7-4-3-5-8-15;1-13(2)23-9-5-8-15(12-23)24-18-16(11-20-24)19(25)22-17(21-18)10-14-6-3-4-7-14/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);2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,25,26,29);3-6,10,14H,1,7-9,11H2,2H3,(H,25,26,29);3-5,7-8,12,16H,1,6,9-11,13H2,2H3,(H,22,23,26);11,14-15H,1,3-10,12H2,2H3,(H,21,22,25)
• InChIKey: MQSUTPRFYSTOLN-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 498.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2494.71
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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 159644120) is 1-(1-benzoylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.COC(=O)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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 MQSUTPRFYSTOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3.C24H29N5O3.C20H20F3N5O4.C20H20F3N5O2.C20H23N5O.C19H27N5O/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;1-31-19(30)27-8-4-6-13(11-27)28-17-14(10-24-28)18(29)26-16(25-17)9-12-5-2-3-7-15(12)32-20(21,22)23;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;1-14(2)24-10-6-9-16(13-24)25-19-17(12-21-25)20(26)23-18(22-19)11-15-7-4-3-5-8-15;1-13(2)23-9-5-8-15(12-23)24-18-16(11-20-24)19(25)22-17(21-18)10-14-6-3-4-7-14/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);2-3,5,7,10,13H,4,6,8-9,11H2,1H3,(H,25,26,29);3-6,10,14H,1,7-9,11H2,2H3,(H,25,26,29);3-5,7-8,12,16H,1,6,9-11,13H2,2H3,(H,22,23,26);11,14-15H,1,3-10,12H2,2H3,(H,21,22,25).

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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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 2494.71 g/mol, XLogP of 20.39, 26 rotatable bonds, 6 hydrogen bond donors, and 35 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-benzyl-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;methyl 3-[4-oxo-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(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 159644120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).