1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C129H144F6N32O11 — CID 158878915

IUPAC1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC(CC)C(F)(F)F)nc32)C1.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccn4)nc32)C1.CC(C)Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1.CCC(Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1)C(F)(F)F.CCOc1ccccc1Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1.O=C(c1ccccc1)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccn4)nc32)C1
InChIInChI=1S/C26H27N5O3.C23H22N6O2.C22H24F3N5O2.C21H25N5O2.C19H22N6O.C18H24F3N5O/c1-2-34-22-13-7-6-11-19(22)15-23-28-24-21(25(32)29-23)16-27-31(24)20-12-8-14-30(17-20)26(33)18-9-4-3-5-10-18;30-22-19-14-25-29(21(19)26-20(27-22)13-17-9-4-5-11-24-17)18-10-6-12-28(15-18)23(31)16-7-2-1-3-8-16;1-2-15(22(23,24)25)11-18-27-19-17(20(31)28-18)12-26-30(19)16-9-6-10-29(13-16)21(32)14-7-4-3-5-8-14;1-14(2)11-18-23-19-17(20(27)24-18)12-22-26(19)16-9-6-10-25(13-16)21(28)15-7-4-3-5-8-15;1-13(2)24-9-5-7-15(12-24)25-18-16(11-21-25)19(26)23-17(22-18)10-14-6-3-4-8-20-14;1-4-12(18(19,20)21)8-15-23-16-14(17(27)24-15)9-22-26(16)13-6-5-7-25(10-13)11(2)3/h3-7,9-11,13,16,20H,2,8,12,14-15,17H2,1H3,(H,28,29,32);1-5,7-9,11,14,18H,6,10,12-13,15H2,(H,26,27,30);3-5,7-8,12,15-16H,2,6,9-11,13H2,1H3,(H,27,28,31);3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3,(H,23,24,27);3-4,6,8,11,15H,1,5,7,9-10,12H2,2H3,(H,22,23,26);9,12-13H,2,4-8,10H2,1,3H3,(H,23,24,27)
InChIKeyJCUDPBCACUDFBD-UHFFFAOYSA-N
MW2432.77 g/mol
LogP18.39
Rot. Bonds28

About 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 158878915) has the molecular formula C129H144F6N32O11 and a molecular weight of 2432.77 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID158878915
Molecular FormulaC129H144F6N32O11
Molecular Weight2432.77 g/mol
Exact Mass2431.16
IUPAC Name1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC(CC)C(F)(F)F)nc32)C1.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccn4)nc32)C1.CC(C)Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1.CCC(Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1)C(F)(F)F.CCOc1ccccc1Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1.O=C(c1ccccc1)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccn4)nc32)C1
InChIInChI=1S/C26H27N5O3.C23H22N6O2.C22H24F3N5O2.C21H25N5O2.C19H22N6O.C18H24F3N5O/c1-2-34-22-13-7-6-11-19(22)15-23-28-24-21(25(32)29-23)16-27-31(24)20-12-8-14-30(17-20)26(33)18-9-4-3-5-10-18;30-22-19-14-25-29(21(19)26-20(27-22)13-17-9-4-5-11-24-17)18-10-6-12-28(15-18)23(31)16-7-2-1-3-8-16;1-2-15(22(23,24)25)11-18-27-19-17(20(31)28-18)12-26-30(19)16-9-6-10-29(13-16)21(32)14-7-4-3-5-8-14;1-14(2)11-18-23-19-17(20(27)24-18)12-22-26(19)16-9-6-10-25(13-16)21(28)15-7-4-3-5-8-15;1-13(2)24-9-5-7-15(12-24)25-18-16(11-21-25)19(26)23-17(22-18)10-14-6-3-4-8-20-14;1-4-12(18(19,20)21)8-15-23-16-14(17(27)24-15)9-22-26(16)13-6-5-7-25(10-13)11(2)3/h3-7,9-11,13,16,20H,2,8,12,14-15,17H2,1H3,(H,28,29,32);1-5,7-9,11,14,18H,6,10,12-13,15H2,(H,26,27,30);3-5,7-8,12,15-16H,2,6,9-11,13H2,1H3,(H,27,28,31);3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3,(H,23,24,27);3-4,6,8,11,15H,1,5,7,9-10,12H2,2H3,(H,22,23,26);9,12-13H,2,4-8,10H2,1,3H3,(H,23,24,27)
InChIKeyJCUDPBCACUDFBD-UHFFFAOYSA-N
XLogP18.39
TPSA504.15 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002432.77
LogP ≤ 518.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137072526
6-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-methoxyphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one
CID 137133797
6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one
CID 137154937
N-cyclohexyl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3,3-diphenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-hexyl-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-methyl-N-pyridin-4-yl-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 157055530
CID 157066093
CID 157066093
3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073829
3-[4-[4-Amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073834
1-[4-[6-[[2-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2R)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[(2S)-2-fluoro-4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[2-fluoro-4-[6-[[2-[4-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 157113268
5-(6-ethyl-3-pyridinyl)-6-[(3S)-3-ethylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-ethyl-3-pyridinyl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-ethylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157135157
1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]triazole-4-carboxylic acid;1-[4-[6-[bis[(4-methoxyphenyl)methyl]amino]pyridazin-3-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[2-fluoro-4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;2-pyridin-2-ylacetic acid;[4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 157151144
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157244886

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 158878915) is 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC(CC)C(F)(F)F)nc32)C1.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccn4)nc32)C1.CC(C)Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1.CCC(Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1)C(F)(F)F.CCOc1ccccc1Cc1nc2c(cnn2C2CCCN(C(=O)c3ccccc3)C2)c(=O)[nH]1.O=C(c1ccccc1)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccn4)nc32)C1.
What is the InChIKey of 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JCUDPBCACUDFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3.C23H22N6O2.C22H24F3N5O2.C21H25N5O2.C19H22N6O.C18H24F3N5O/c1-2-34-22-13-7-6-11-19(22)15-23-28-24-21(25(32)29-23)16-27-31(24)20-12-8-14-30(17-20)26(33)18-9-4-3-5-10-18;30-22-19-14-25-29(21(19)26-20(27-22)13-17-9-4-5-11-24-17)18-10-6-12-28(15-18)23(31)16-7-2-1-3-8-16;1-2-15(22(23,24)25)11-18-27-19-17(20(31)28-18)12-26-30(19)16-9-6-10-29(13-16)21(32)14-7-4-3-5-8-14;1-14(2)11-18-23-19-17(20(27)24-18)12-22-26(19)16-9-6-10-25(13-16)21(28)15-7-4-3-5-8-15;1-13(2)24-9-5-7-15(12-24)25-18-16(11-21-25)19(26)23-17(22-18)10-14-6-3-4-8-20-14;1-4-12(18(19,20)21)8-15-23-16-14(17(27)24-15)9-22-26(16)13-6-5-7-25(10-13)11(2)3/h3-7,9-11,13,16,20H,2,8,12,14-15,17H2,1H3,(H,28,29,32);1-5,7-9,11,14,18H,6,10,12-13,15H2,(H,26,27,30);3-5,7-8,12,15-16H,2,6,9-11,13H2,1H3,(H,27,28,31);3-5,7-8,12,14,16H,6,9-11,13H2,1-2H3,(H,23,24,27);3-4,6,8,11,15H,1,5,7,9-10,12H2,2H3,(H,22,23,26);9,12-13H,2,4-8,10H2,1,3H3,(H,23,24,27).
What are the key properties of 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2432.77 g/mol, XLogP of 18.39, 28 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 158878915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).