1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide

C122H149F9N34O11 — CID 160761521

IUPAC1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3CC(C2)N3CC(F)(F)F)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CCC(C(F)(F)F)CC2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CCN(CC(F)(F)F)CC2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(Oc3ccccc3)cn2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(Nc3ccccc3)c2)CC1
InChIInChI=1S/C28H31N7O2.C27H29N7O3.C23H30F3N7O2.C22H30F3N7O2.C22H29F3N6O2/c29-14-11-28(35-19-24(25(30)36)26(33-35)32-27(37)21-9-10-21)12-15-34(16-13-28)18-20-5-4-8-23(17-20)31-22-6-2-1-3-7-22;28-13-10-27(34-18-23(24(29)35)25(32-34)31-26(36)19-6-7-19)11-14-33(15-12-27)17-20-8-9-22(16-30-20)37-21-4-2-1-3-5-21;24-23(25,26)13-32-16-9-17(32)11-31(10-16)15-3-5-22(6-4-15,7-8-27)33-12-18(19(28)34)20(30-33)29-21(35)14-1-2-14;23-22(24,25)14-30-9-11-31(12-10-30)16-3-5-21(6-4-16,7-8-26)32-13-17(18(27)33)19(29-32)28-20(34)15-1-2-15;23-22(24,25)15-5-11-30(12-6-15)16-3-7-21(8-4-16,9-10-26)31-13-17(18(27)32)19(29-31)28-20(33)14-1-2-14/h1-8,17,19,21,31H,9-13,15-16,18H2,(H2,30,36)(H,32,33,37);1-5,8-9,16,18-19H,6-7,10-12,14-15,17H2,(H2,29,35)(H,31,32,36);12,14-17H,1-7,9-11,13H2,(H2,28,34)(H,29,30,35);13,15-16H,1-7,9-12,14H2,(H2,27,33)(H,28,29,34);13-16H,1-9,11-12H2,(H2,27,32)(H,28,29,33)
InChIKeyRYDBQOKNNMYGJW-UHFFFAOYSA-N
MW2438.74 g/mol
LogP14.82
Rot. Bonds38

About 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide

1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide (PubChem CID 160761521) has the molecular formula C122H149F9N34O11 and a molecular weight of 2438.74 g/mol. Its IUPAC name is 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
PubChem CID160761521
Molecular FormulaC122H149F9N34O11
Molecular Weight2438.74 g/mol
Exact Mass2437.20
IUPAC Name1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3CC(C2)N3CC(F)(F)F)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CCC(C(F)(F)F)CC2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CCN(CC(F)(F)F)CC2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(Oc3ccccc3)cn2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(Nc3ccccc3)c2)CC1
InChIInChI=1S/C28H31N7O2.C27H29N7O3.C23H30F3N7O2.C22H30F3N7O2.C22H29F3N6O2/c29-14-11-28(35-19-24(25(30)36)26(33-35)32-27(37)21-9-10-21)12-15-34(16-13-28)18-20-5-4-8-23(17-20)31-22-6-2-1-3-7-22;28-13-10-27(34-18-23(24(29)35)25(32-34)31-26(36)19-6-7-19)11-14-33(15-12-27)17-20-8-9-22(16-30-20)37-21-4-2-1-3-5-21;24-23(25,26)13-32-16-9-17(32)11-31(10-16)15-3-5-22(6-4-15,7-8-27)33-12-18(19(28)34)20(30-33)29-21(35)14-1-2-14;23-22(24,25)14-30-9-11-31(12-10-30)16-3-5-21(6-4-16,7-8-26)32-13-17(18(27)33)19(29-32)28-20(34)15-1-2-15;23-22(24,25)15-5-11-30(12-6-15)16-3-7-21(8-4-16,9-10-26)31-13-17(18(27)32)19(29-31)28-20(33)14-1-2-14/h1-8,17,19,21,31H,9-13,15-16,18H2,(H2,30,36)(H,32,33,37);1-5,8-9,16,18-19H,6-7,10-12,14-15,17H2,(H2,29,35)(H,31,32,36);12,14-17H,1-7,9-11,13H2,(H2,28,34)(H,29,30,35);13,15-16H,1-7,9-12,14H2,(H2,27,33)(H,28,29,34);13-16H,1-9,11-12H2,(H2,27,32)(H,28,29,33)
InChIKeyRYDBQOKNNMYGJW-UHFFFAOYSA-N
XLogP14.82
TPSA625.83 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds38
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002438.74
LogP ≤ 514.82
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-6-[(3-methoxy-2-pyridinyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(2-methyloxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;2-[[1-(2-methyloxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]benzonitrile;1-(2-methyloxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(2-methyloxan-4-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(pyridin-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 157824649
8-(Dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
CID 158131395
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
1-[4-(Cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 160124337
1-[4-(Cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 161620754
7-(4,4-difluorocyclohexyl)-2-[(5,5-dimethyloxolan-3-yl)methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(4,4-difluorocyclohexyl)-2-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[2-[[7-(4,4-difluorocyclohexyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(4-fluoro-4-methylcyclohexyl)-6-[[2-(6-methoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 161895241
1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[6-(cyclopropanecarbonylamino)pyridazin-3-yl]butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]triazole-4-carboxamide;1-[4-[6-[[2-[3-(2-methoxyethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 163919616
N-[5-[2-cyano-5-[(3S)-1-cyclopropylpyrrolidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-cyano-5-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-cyano-5-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-cyano-5-[4-(trifluoromethyl)piperidin-4-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 174154910
N-[5-[2-cyano-5-[(3S)-1-cyclopropylpyrrolidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-cyano-5-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[2-cyano-5-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 174155023
1-[1-[(4-Anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-[(4-benzylphenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(6-phenoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide
CID 158948922
1-[1-[(3-Anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-hydroxy-3-phenylazetidin-1-yl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;bis(1-[1-(cyanomethyl)-4-(3-phenylazetidin-1-yl)cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide)
CID 160404351
6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 161104899

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide (CID 160761521) is 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide is N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CC3CC(C2)N3CC(F)(F)F)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CCC(C(F)(F)F)CC2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCC(N2CCN(CC(F)(F)F)CC2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2ccc(Oc3ccccc3)cn2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(Cc2cccc(Nc3ccccc3)c2)CC1.
What is the InChIKey of 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
The InChIKey is RYDBQOKNNMYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2.C27H29N7O3.C23H30F3N7O2.C22H30F3N7O2.C22H29F3N6O2/c29-14-11-28(35-19-24(25(30)36)26(33-35)32-27(37)21-9-10-21)12-15-34(16-13-28)18-20-5-4-8-23(17-20)31-22-6-2-1-3-7-22;28-13-10-27(34-18-23(24(29)35)25(32-34)31-26(36)19-6-7-19)11-14-33(15-12-27)17-20-8-9-22(16-30-20)37-21-4-2-1-3-5-21;24-23(25,26)13-32-16-9-17(32)11-31(10-16)15-3-5-22(6-4-15,7-8-27)33-12-18(19(28)34)20(30-33)29-21(35)14-1-2-14;23-22(24,25)14-30-9-11-31(12-10-30)16-3-5-21(6-4-16,7-8-26)32-13-17(18(27)33)19(29-32)28-20(34)15-1-2-15;23-22(24,25)15-5-11-30(12-6-15)16-3-7-21(8-4-16,9-10-26)31-13-17(18(27)32)19(29-31)28-20(33)14-1-2-14/h1-8,17,19,21,31H,9-13,15-16,18H2,(H2,30,36)(H,32,33,37);1-5,8-9,16,18-19H,6-7,10-12,14-15,17H2,(H2,29,35)(H,31,32,36);12,14-17H,1-7,9-11,13H2,(H2,28,34)(H,29,30,35);13,15-16H,1-7,9-12,14H2,(H2,27,33)(H,28,29,34);13-16H,1-9,11-12H2,(H2,27,32)(H,28,29,33).
What are the key properties of 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide?
1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide has a molecular weight of 2438.74 g/mol, XLogP of 14.82, 38 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-anilinophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(5-phenoxy-2-pyridinyl)methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[6-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclohexyl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 160761521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).