tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol

C165H235ClF15N35O23S7Si2 — CID 160838722

About tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol

tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol (PubChem CID 160838722) has the molecular formula C165H235ClF15N35O23S7Si2 and a molecular weight of 3677.98 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol.

Molecular Properties

• Compound Name: tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol
• PubChem CID: 160838722
• Molecular Formula: C165H235ClF15N35O23S7Si2
• Molecular Weight: 3677.98 g/mol
• Exact Mass: 3674.53
• IUPAC Name: tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol
• SMILES: CC(C)(C)[Si](C)(C)OCC=O.CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Cl)ncc1C(F)(F)F.CS.CS.Cc1cc(N)c2c(c1C1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCN(CCO)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCN(CCO[Si](C)(C)C(C)(C)C)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCNCC1)C[C@@H](C)O2
• InChI: InChI=1S/C35H52F3N7O4SSi.C32H42F3N7O5S.C29H38F3N7O4S.C27H34F3N7O3S.C20H30N2O3.C12H13ClF3N5O2S.C8H18O2Si.2CH4S/c1-21(2)50(46,47)32-28(20-44(8)43-32)40-31-26(35(36,37)38)19-39-33(42-31)41-27-17-22(3)29(25-18-23(4)49-30(25)27)24-11-13-45(14-12-24)15-16-48-51(9,10)34(5,6)7;1-17(2)48(44,45)28-24(16-41(8)40-28)37-27-22(32(33,34)35)15-36-29(39-27)38-23-13-18(3)25(21-14-19(4)46-26(21)23)20-9-11-42(12-10-20)30(43)47-31(5,6)7;1-16(2)44(41,42)27-23(15-38(5)37-27)34-26-21(29(30,31)32)14-33-28(36-26)35-22-12-17(3)24(20-13-18(4)43-25(20)22)19-6-8-39(9-7-19)10-11-40;1-14(2)41(38,39)25-21(13-37(5)36-25)33-24-19(27(28,29)30)12-32-26(35-24)34-20-10-15(3)22(17-6-8-31-9-7-17)18-11-16(4)40-23(18)20;1-12-10-16(21)18-15(11-13(2)24-18)17(12)14-6-8-22(9-7-14)19(23)25-20(3,4)5;1-6(2)24(22,23)10-8(5-21(3)20-10)18-9-7(12(14,15)16)4-17-11(13)19-9;1-8(2,3)11(4,5)10-7-6-9;2*1-2/h17,19-21,23-24H,11-16,18H2,1-10H3,(H2,39,40,41,42);13,15-17,19-20H,9-12,14H2,1-8H3,(H2,36,37,38,39);12,14-16,18-19,40H,6-11,13H2,1-5H3,(H2,33,34,35,36);10,12-14,16-17,31H,6-9,11H2,1-5H3,(H2,32,33,34,35);10,13-14H,6-9,11,21H2,1-5H3;4-6H,1-3H3,(H,17,18,19);6H,7H2,1-5H3;2*2H,1H3/t23-;19-;18-;16-;13-;;;;/m11111..../s1
• InChIKey: SHSXWZOTOMQXFC-KHBJNNGFSA-N
• XLogP: 34.20
• TPSA: 702.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 58
• Rotatable Bonds: 42
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3677.98
LogP ≤ 5	34.20
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol?

The IUPAC name of tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol (CID 160838722) is tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol.

What is the SMILES notation for tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol?

The canonical SMILES for tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol is CC(C)(C)[Si](C)(C)OCC=O.CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Cl)ncc1C(F)(F)F.CS.CS.Cc1cc(N)c2c(c1C1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCN(CCO)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCN(CCO[Si](C)(C)C(C)(C)C)CC1)C[C@@H](C)O2.Cc1cc(Nc2ncc(C(F)(F)F)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c2c(c1C1CCNCC1)C[C@@H](C)O2.

What is the InChIKey of tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol?

The InChIKey is SHSXWZOTOMQXFC-KHBJNNGFSA-N. The full InChI is InChI=1S/C35H52F3N7O4SSi.C32H42F3N7O5S.C29H38F3N7O4S.C27H34F3N7O3S.C20H30N2O3.C12H13ClF3N5O2S.C8H18O2Si.2CH4S/c1-21(2)50(46,47)32-28(20-44(8)43-32)40-31-26(35(36,37)38)19-39-33(42-31)41-27-17-22(3)29(25-18-23(4)49-30(25)27)24-11-13-45(14-12-24)15-16-48-51(9,10)34(5,6)7;1-17(2)48(44,45)28-24(16-41(8)40-28)37-27-22(32(33,34)35)15-36-29(39-27)38-23-13-18(3)25(21-14-19(4)46-26(21)23)20-9-11-42(12-10-20)30(43)47-31(5,6)7;1-16(2)44(41,42)27-23(15-38(5)37-27)34-26-21(29(30,31)32)14-33-28(36-26)35-22-12-17(3)24(20-13-18(4)43-25(20)22)19-6-8-39(9-7-19)10-11-40;1-14(2)41(38,39)25-21(13-37(5)36-25)33-24-19(27(28,29)30)12-32-26(35-24)34-20-10-15(3)22(17-6-8-31-9-7-17)18-11-16(4)40-23(18)20;1-12-10-16(21)18-15(11-13(2)24-18)17(12)14-6-8-22(9-7-14)19(23)25-20(3,4)5;1-6(2)24(22,23)10-8(5-21(3)20-10)18-9-7(12(14,15)16)4-17-11(13)19-9;1-8(2,3)11(4,5)10-7-6-9;2*1-2/h17,19-21,23-24H,11-16,18H2,1-10H3,(H2,39,40,41,42);13,15-17,19-20H,9-12,14H2,1-8H3,(H2,36,37,38,39);12,14-16,18-19,40H,6-11,13H2,1-5H3,(H2,33,34,35,36);10,12-14,16-17,31H,6-9,11H2,1-5H3,(H2,32,33,34,35);10,13-14H,6-9,11,21H2,1-5H3;4-6H,1-3H3,(H,17,18,19);6H,7H2,1-5H3;2*2H,1H3/t23-;19-;18-;16-;13-;;;;/m11111..../s1.

What are the key properties of tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol?

tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol has a molecular weight of 3677.98 g/mol, XLogP of 34.20, 42 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(2R)-7-amino-2,5-dimethyl-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidine-1-carboxylate;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;2-N-[(2R)-4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-2,5-dimethyl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-chloro-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine;2-[4-[(2R)-2,5-dimethyl-7-[[4-[(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-1-yl]ethanol;2-N-[(2R)-2,5-dimethyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]-4-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methanethiol is sourced from PubChem (CID 160838722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).