3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate

C160H169F8N37O19 — CID 157337661

IUPAC3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate
SMILESCCOC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-n4nccn4)cc3)CC2F)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccco4)c(O)c3)CC2F)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccco4)nc3F)CC2F)cc1C(N)=O.Cc1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)C(F)C3)cc2)o1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3C#N)n2)CCN(CC2CCC(c3ccccc3)CC2)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3C#N)n2)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1F
InChIInChI=1S/C30H35FN6O2.C29H27F2N7O2.C28H30FN5O3.C25H26FN5O5.C24H24F2N6O4.C24H27FN8O3/c31-28-19-36(17-20-6-8-22(9-7-20)21-4-2-1-3-5-21)13-11-30(28,10-12-32)37-18-25(29(34)39)26(35-37)15-27(38)24-14-23(24)16-33;30-26-17-37(15-19-6-7-23(35-27(19)31)18-4-2-1-3-5-18)11-9-29(26,8-10-32)38-16-22(28(34)40)24(36-38)13-25(39)21-12-20(21)14-33;1-18-2-9-25(37-18)21-5-3-19(4-6-21)15-33-13-11-28(10-12-30,26(29)17-33)34-16-22(27(31)36)23(32-34)14-24(35)20-7-8-20;1-35-23(33)12-19-18(24(28)34)14-31(29-19)25(6-8-27)7-9-30(15-22(25)26)13-16-4-5-17(20(32)11-16)21-3-2-10-36-21;1-35-21(33)11-18-16(23(28)34)13-32(30-18)24(6-8-27)7-9-31(14-20(24)25)12-15-4-5-17(29-22(15)26)19-3-2-10-36-19;1-2-36-22(34)13-20-19(23(27)35)15-32(30-20)24(7-9-26)8-12-31(16-21(24)25)14-17-3-5-18(6-4-17)33-28-10-11-29-33/h1-5,18,20,22-24,28H,6-11,13-15,17,19H2,(H2,34,39);1-7,16,20-21,26H,8-9,11-13,15,17H2,(H2,34,40);2-6,9,16,20,26H,7-8,10-11,13-15,17H2,1H3,(H2,31,36);2-5,10-11,14,22,32H,6-7,9,12-13,15H2,1H3,(H2,28,34);2-5,10,13,20H,6-7,9,11-12,14H2,1H3,(H2,28,34);3-6,10-11,15,21H,2,7-8,12-14,16H2,1H3,(H2,27,35)
InChIKeyBGAHZVOPVAUBRC-UHFFFAOYSA-N
MW3066.34 g/mol
LogP17.49
Rot. Bonds52

About 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate

3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate (PubChem CID 157337661) has the molecular formula C160H169F8N37O19 and a molecular weight of 3066.34 g/mol. Its IUPAC name is 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate.

Molecular Properties

Compound Name3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate
PubChem CID157337661
Molecular FormulaC160H169F8N37O19
Molecular Weight3066.34 g/mol
Exact Mass3064.33
IUPAC Name3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate
SMILESCCOC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-n4nccn4)cc3)CC2F)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccco4)c(O)c3)CC2F)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccco4)nc3F)CC2F)cc1C(N)=O.Cc1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)C(F)C3)cc2)o1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3C#N)n2)CCN(CC2CCC(c3ccccc3)CC2)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3C#N)n2)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1F
InChIInChI=1S/C30H35FN6O2.C29H27F2N7O2.C28H30FN5O3.C25H26FN5O5.C24H24F2N6O4.C24H27FN8O3/c31-28-19-36(17-20-6-8-22(9-7-20)21-4-2-1-3-5-21)13-11-30(28,10-12-32)37-18-25(29(34)39)26(35-37)15-27(38)24-14-23(24)16-33;30-26-17-37(15-19-6-7-23(35-27(19)31)18-4-2-1-3-5-18)11-9-29(26,8-10-32)38-16-22(28(34)40)24(36-38)13-25(39)21-12-20(21)14-33;1-18-2-9-25(37-18)21-5-3-19(4-6-21)15-33-13-11-28(10-12-30,26(29)17-33)34-16-22(27(31)36)23(32-34)14-24(35)20-7-8-20;1-35-23(33)12-19-18(24(28)34)14-31(29-19)25(6-8-27)7-9-30(15-22(25)26)13-16-4-5-17(20(32)11-16)21-3-2-10-36-21;1-35-21(33)11-18-16(23(28)34)13-32(30-18)24(6-8-27)7-9-31(14-20(24)25)12-15-4-5-17(29-22(15)26)19-3-2-10-36-19;1-2-36-22(34)13-20-19(23(27)35)15-32(30-20)24(7-9-26)8-12-31(16-21(24)25)14-17-3-5-18(6-4-17)33-28-10-11-29-33/h1-5,18,20,22-24,28H,6-11,13-15,17,19H2,(H2,34,39);1-7,16,20-21,26H,8-9,11-13,15,17H2,(H2,34,40);2-6,9,16,20,26H,7-8,10-11,13-15,17H2,1H3,(H2,31,36);2-5,10-11,14,22,32H,6-7,9,12-13,15H2,1H3,(H2,28,34);2-5,10,13,20H,6-7,9,11-12,14H2,1H3,(H2,28,34);3-6,10-11,15,21H,2,7-8,12-14,16H2,1H3,(H2,27,35)
InChIKeyBGAHZVOPVAUBRC-UHFFFAOYSA-N
XLogP17.49
TPSA821.47 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds52
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003066.34
LogP ≤ 517.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

CID 161025462
CID 161025462
1-[4-(cyanomethyl)-3-fluoro-1-[[4-(1,3-oxazol-2-yl)phenyl]methyl]piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-[2-(2-ethynylcyclopropyl)-2-oxoethyl]pyrazole-4-carboxamide;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]carbamate;methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-5-hydroxy-4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]carbamate
CID 157092205
1-[4-(Cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(4-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
CID 157251869
1-[4-(Cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate
CID 157652570
1-[4-(Cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;bis(1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide);cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate
CID 158015032
3-[2-(2-Cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate
CID 158416726
Bis(3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazole-4-carboxamide);1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate
CID 158907243
1-[4-(Cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(3-fluoro-3-phenylazetidin-1-yl)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[1-(cyanomethyl)-4-(4-phenylphenoxy)cyclohexyl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;cyclopropyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
CID 159123680
Bis(3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazole-4-carboxamide);1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate
CID 159135032
Bis(3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]pyrazole-4-carboxamide);bis(3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-4-phenylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide);1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate
CID 159291098
3-[2-(2-Cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(2-fluoro-5-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-4-phenylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetate
CID 159609764
1-[4-(Cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylphenyl)methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyrazol-3-yl)phenyl]methyl]-3-fluoropiperidin-4-yl]pyrazol-3-yl]acetate
CID 159616298

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The IUPAC name of 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate (CID 157337661) is 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate.
What is the SMILES notation for 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The canonical SMILES for 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate is CCOC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-n4nccn4)cc3)CC2F)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccco4)c(O)c3)CC2F)cc1C(N)=O.COC(=O)Cc1nn(C2(CC#N)CCN(Cc3ccc(-c4ccco4)nc3F)CC2F)cc1C(N)=O.Cc1ccc(-c2ccc(CN3CCC(CC#N)(n4cc(C(N)=O)c(CC(=O)C5CC5)n4)C(F)C3)cc2)o1.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3C#N)n2)CCN(CC2CCC(c3ccccc3)CC2)CC1F.N#CCC1(n2cc(C(N)=O)c(CC(=O)C3CC3C#N)n2)CCN(Cc2ccc(-c3ccccc3)nc2F)CC1F.
What is the InChIKey of 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
The InChIKey is BGAHZVOPVAUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O2.C29H27F2N7O2.C28H30FN5O3.C25H26FN5O5.C24H24F2N6O4.C24H27FN8O3/c31-28-19-36(17-20-6-8-22(9-7-20)21-4-2-1-3-5-21)13-11-30(28,10-12-32)37-18-25(29(34)39)26(35-37)15-27(38)24-14-23(24)16-33;30-26-17-37(15-19-6-7-23(35-27(19)31)18-4-2-1-3-5-18)11-9-29(26,8-10-32)38-16-22(28(34)40)24(36-38)13-25(39)21-12-20(21)14-33;1-18-2-9-25(37-18)21-5-3-19(4-6-21)15-33-13-11-28(10-12-30,26(29)17-33)34-16-22(27(31)36)23(32-34)14-24(35)20-7-8-20;1-35-23(33)12-19-18(24(28)34)14-31(29-19)25(6-8-27)7-9-30(15-22(25)26)13-16-4-5-17(20(32)11-16)21-3-2-10-36-21;1-35-21(33)11-18-16(23(28)34)13-32(30-18)24(6-8-27)7-9-31(14-20(24)25)12-15-4-5-17(29-22(15)26)19-3-2-10-36-19;1-2-36-22(34)13-20-19(23(27)35)15-32(30-20)24(7-9-26)8-12-31(16-21(24)25)14-17-3-5-18(6-4-17)33-28-10-11-29-33/h1-5,18,20,22-24,28H,6-11,13-15,17,19H2,(H2,34,39);1-7,16,20-21,26H,8-9,11-13,15,17H2,(H2,34,40);2-6,9,16,20,26H,7-8,10-11,13-15,17H2,1H3,(H2,31,36);2-5,10-11,14,22,32H,6-7,9,12-13,15H2,1H3,(H2,28,34);2-5,10,13,20H,6-7,9,11-12,14H2,1H3,(H2,28,34);3-6,10-11,15,21H,2,7-8,12-14,16H2,1H3,(H2,27,35).
What are the key properties of 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate?
3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate has a molecular weight of 3066.34 g/mol, XLogP of 17.49, 52 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(2-fluoro-6-phenyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;3-[2-(2-cyanocyclopropyl)-2-oxoethyl]-1-[4-(cyanomethyl)-3-fluoro-1-[(4-phenylcyclohexyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(cyanomethyl)-3-fluoro-1-[[4-(5-methylfuran-2-yl)phenyl]methyl]piperidin-4-yl]-3-(2-cyclopropyl-2-oxoethyl)pyrazole-4-carboxamide;ethyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(triazol-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[2-fluoro-6-(furan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate;methyl 2-[4-carbamoyl-1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)-3-hydroxyphenyl]methyl]piperidin-4-yl]pyrazol-3-yl]acetate is sourced from PubChem (CID 157337661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).