3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide

C226H274F31N73O27 — CID 158605992

IUPAC3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(=O)NC2CC(F)(F)C2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(CO)c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CC(O)c2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3(F)F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(C)c2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC34CC4)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@@H]3C[C@@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@@H]3C[C@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@H]3C[C@@H]3C)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@H]3C[C@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(C)=O)n2)CCN(CC(F)(F)F)CC1
InChIInChI=1S/2C23H28N6O3.C23H28N6O2.C20H25F2N7O3.C19H23F3N6O2.C18H23F3N6O2.C17H19F5N6O2.3C17H20F4N6O2.C17H21F3N6O2.C15H19F3N6O2/c24-11-8-23(9-12-28(13-10-23)19(15-30)16-4-2-1-3-5-16)29-14-18(20(25)31)21(27-29)26-22(32)17-6-7-17;24-11-8-23(9-12-28(13-10-23)15-19(30)16-4-2-1-3-5-16)29-14-18(20(25)31)21(27-29)26-22(32)17-6-7-17;1-16(17-6-4-3-5-7-17)28-12-10-23(11-13-28,15-25-2)29-14-19(20(24)30)21(27-29)26-22(31)18-8-9-18;21-20(22)9-13(10-20)25-18(32)28-7-4-19(3-6-23,5-8-28)29-11-14(15(24)30)16(27-29)26-17(31)12-1-2-12;1-24-10-18(4-6-27(7-5-18)11-19(20,21)22)28-9-12(14(23)29)15(26-28)25-16(30)13-8-17(13)2-3-17;1-11-7-12(11)16(29)24-15-13(14(22)28)8-27(25-15)17(9-23-2)3-5-26(6-4-17)10-18(19,20)21;1-24-8-15(2-4-27(5-3-15)9-17(20,21)22)28-7-10(12(23)29)13(26-28)25-14(30)11-6-16(11,18)19;3*1-23-8-16(2-4-26(5-3-16)9-17(19,20)21)27-7-11(13(22)28)14(25-27)24-15(29)10-6-12(10)18;1-22-9-16(4-6-25(7-5-16)10-17(18,19)20)26-8-12(13(21)27)14(24-26)23-15(28)11-2-3-11;1-10(25)21-13-11(12(19)26)7-24(22-13)14(8-20-2)3-5-23(6-4-14)9-15(16,17)18/h2*1-5,14,17,19,30H,6-10,12-13,15H2,(H2,25,31)(H,26,27,32);3-7,14,16,18H,8-13,15H2,1H3,(H2,24,30)(H,26,27,31);11-13H,1-5,7-10H2,(H2,24,30)(H,25,32)(H,26,27,31);9,13H,2-8,10-11H2,(H2,23,29)(H,25,26,30);8,11-12H,3-7,9-10H2,1H3,(H2,22,28)(H,24,25,29);7,11H,2-6,8-9H2,(H2,23,29)(H,25,26,30);3*7,10,12H,2-6,8-9H2,(H2,22,28)(H,24,25,29);8,11H,2-7,9-10H2,(H2,21,27)(H,23,24,28);7H,3-6,8-9H2,1H3,(H2,19,26)(H,21,22,25)/t;;;;;11-,12-;;2*10-,12+;10-,12-;;/m.....0.101../s1
InChIKeyHWFPHIJFLGQHCV-CXASQLKLSA-N
MW5034.10 g/mol
LogP21.04
Rot. Bonds76

About 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide

3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide (PubChem CID 158605992) has the molecular formula C226H274F31N73O27 and a molecular weight of 5034.10 g/mol. Its IUPAC name is 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide
PubChem CID158605992
Molecular FormulaC226H274F31N73O27
Molecular Weight5034.10 g/mol
Exact Mass5031.18
IUPAC Name3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide
SMILESN#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(=O)NC2CC(F)(F)C2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(CO)c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CC(O)c2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3(F)F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(C)c2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC34CC4)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@@H]3C[C@@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@@H]3C[C@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@H]3C[C@@H]3C)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@H]3C[C@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(C)=O)n2)CCN(CC(F)(F)F)CC1
InChIInChI=1S/2C23H28N6O3.C23H28N6O2.C20H25F2N7O3.C19H23F3N6O2.C18H23F3N6O2.C17H19F5N6O2.3C17H20F4N6O2.C17H21F3N6O2.C15H19F3N6O2/c24-11-8-23(9-12-28(13-10-23)19(15-30)16-4-2-1-3-5-16)29-14-18(20(25)31)21(27-29)26-22(32)17-6-7-17;24-11-8-23(9-12-28(13-10-23)15-19(30)16-4-2-1-3-5-16)29-14-18(20(25)31)21(27-29)26-22(32)17-6-7-17;1-16(17-6-4-3-5-7-17)28-12-10-23(11-13-28,15-25-2)29-14-19(20(24)30)21(27-29)26-22(31)18-8-9-18;21-20(22)9-13(10-20)25-18(32)28-7-4-19(3-6-23,5-8-28)29-11-14(15(24)30)16(27-29)26-17(31)12-1-2-12;1-24-10-18(4-6-27(7-5-18)11-19(20,21)22)28-9-12(14(23)29)15(26-28)25-16(30)13-8-17(13)2-3-17;1-11-7-12(11)16(29)24-15-13(14(22)28)8-27(25-15)17(9-23-2)3-5-26(6-4-17)10-18(19,20)21;1-24-8-15(2-4-27(5-3-15)9-17(20,21)22)28-7-10(12(23)29)13(26-28)25-14(30)11-6-16(11,18)19;3*1-23-8-16(2-4-26(5-3-16)9-17(19,20)21)27-7-11(13(22)28)14(25-27)24-15(29)10-6-12(10)18;1-22-9-16(4-6-25(7-5-16)10-17(18,19)20)26-8-12(13(21)27)14(24-26)23-15(28)11-2-3-11;1-10(25)21-13-11(12(19)26)7-24(22-13)14(8-20-2)3-5-23(6-4-14)9-15(16,17)18/h2*1-5,14,17,19,30H,6-10,12-13,15H2,(H2,25,31)(H,26,27,32);3-7,14,16,18H,8-13,15H2,1H3,(H2,24,30)(H,26,27,31);11-13H,1-5,7-10H2,(H2,24,30)(H,25,32)(H,26,27,31);9,13H,2-8,10-11H2,(H2,23,29)(H,25,26,30);8,11-12H,3-7,9-10H2,1H3,(H2,22,28)(H,24,25,29);7,11H,2-6,8-9H2,(H2,23,29)(H,25,26,30);3*7,10,12H,2-6,8-9H2,(H2,22,28)(H,24,25,29);8,11H,2-7,9-10H2,(H2,21,27)(H,23,24,28);7H,3-6,8-9H2,1H3,(H2,19,26)(H,21,22,25)/t;;;;;11-,12-;;2*10-,12+;10-,12-;;/m.....0.101../s1
InChIKeyHWFPHIJFLGQHCV-CXASQLKLSA-N
XLogP21.04
TPSA1299.17 Ų
H-Bond Donors27
H-Bond Acceptors65
Rotatable Bonds76
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005034.10
LogP ≤ 521.04
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1065

Analyze 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide?
The IUPAC name of 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide (CID 158605992) is 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide?
The canonical SMILES for 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide is N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(=O)NC2CC(F)(F)C2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(CO)c2ccccc2)CC1.N#CCC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CC(O)c2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3(F)F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(C(C)c2ccccc2)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC3)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)C3CC34CC4)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@@H]3C[C@@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@@H]3C[C@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@H]3C[C@@H]3C)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(=O)[C@H]3C[C@H]3F)n2)CCN(CC(F)(F)F)CC1.[C-]#[N+]CC1(n2cc(C(N)=O)c(NC(C)=O)n2)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide?
The InChIKey is HWFPHIJFLGQHCV-CXASQLKLSA-N. The full InChI is InChI=1S/2C23H28N6O3.C23H28N6O2.C20H25F2N7O3.C19H23F3N6O2.C18H23F3N6O2.C17H19F5N6O2.3C17H20F4N6O2.C17H21F3N6O2.C15H19F3N6O2/c24-11-8-23(9-12-28(13-10-23)19(15-30)16-4-2-1-3-5-16)29-14-18(20(25)31)21(27-29)26-22(32)17-6-7-17;24-11-8-23(9-12-28(13-10-23)15-19(30)16-4-2-1-3-5-16)29-14-18(20(25)31)21(27-29)26-22(32)17-6-7-17;1-16(17-6-4-3-5-7-17)28-12-10-23(11-13-28,15-25-2)29-14-19(20(24)30)21(27-29)26-22(31)18-8-9-18;21-20(22)9-13(10-20)25-18(32)28-7-4-19(3-6-23,5-8-28)29-11-14(15(24)30)16(27-29)26-17(31)12-1-2-12;1-24-10-18(4-6-27(7-5-18)11-19(20,21)22)28-9-12(14(23)29)15(26-28)25-16(30)13-8-17(13)2-3-17;1-11-7-12(11)16(29)24-15-13(14(22)28)8-27(25-15)17(9-23-2)3-5-26(6-4-17)10-18(19,20)21;1-24-8-15(2-4-27(5-3-15)9-17(20,21)22)28-7-10(12(23)29)13(26-28)25-14(30)11-6-16(11,18)19;3*1-23-8-16(2-4-26(5-3-16)9-17(19,20)21)27-7-11(13(22)28)14(25-27)24-15(29)10-6-12(10)18;1-22-9-16(4-6-25(7-5-16)10-17(18,19)20)26-8-12(13(21)27)14(24-26)23-15(28)11-2-3-11;1-10(25)21-13-11(12(19)26)7-24(22-13)14(8-20-2)3-5-23(6-4-14)9-15(16,17)18/h2*1-5,14,17,19,30H,6-10,12-13,15H2,(H2,25,31)(H,26,27,32);3-7,14,16,18H,8-13,15H2,1H3,(H2,24,30)(H,26,27,31);11-13H,1-5,7-10H2,(H2,24,30)(H,25,32)(H,26,27,31);9,13H,2-8,10-11H2,(H2,23,29)(H,25,26,30);8,11-12H,3-7,9-10H2,1H3,(H2,22,28)(H,24,25,29);7,11H,2-6,8-9H2,(H2,23,29)(H,25,26,30);3*7,10,12H,2-6,8-9H2,(H2,22,28)(H,24,25,29);8,11H,2-7,9-10H2,(H2,21,27)(H,23,24,28);7H,3-6,8-9H2,1H3,(H2,19,26)(H,21,22,25)/t;;;;;11-,12-;;2*10-,12+;10-,12-;;/m.....0.101../s1.
What are the key properties of 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide?
3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide has a molecular weight of 5034.10 g/mol, XLogP of 21.04, 76 rotatable bonds, 27 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;4-[4-carbamoyl-3-(cyclopropanecarbonylamino)pyrazol-1-yl]-4-(cyanomethyl)-N-(3,3-difluorocyclobutyl)piperidine-1-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-1-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;1-[4-(cyanomethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-3-(cyclopropanecarbonylamino)pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(1-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-(cyclopropanecarbonylamino)-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[(2,2-difluorocyclopropanecarbonyl)amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;3-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]pyrazole-4-carboxamide;1-[4-(isocyanomethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-(spiro[2.2]pentane-2-carbonylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 158605992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).