tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine

C252H294BBrCl2F19IN38O43 — CID 157438848

IUPACtert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N(Cc1nc(N)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCCC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1[C@@H]1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.Fc1ccn2c(I)cnc2c1
InChIInChI=1S/C38H43F3N6O5.3C37H41F3N6O6.C36H49BF2N4O8.C30H37ClF2N4O6.C17H25F2N3O3.C13H13BrClNO3.C7H4FIN2/c1-37(2,3)51-35(49)45(21-30(40)41)20-28-24(22-9-7-8-10-22)12-14-31(44-28)43-27-13-11-25(29-18-42-32-17-23(39)15-16-46(29)32)26-19-47(34(48)33(26)27)36(50)52-38(4,5)6;3*1-36(2,3)51-34(48)44(19-29(39)40)18-27-23(21-12-14-50-20-21)8-10-30(43-27)42-26-9-7-24(28-16-41-31-15-22(38)11-13-45(28)31)25-17-46(33(47)32(25)26)35(49)52-37(4,5)6;1-33(2,3)48-31(45)42(19-27(38)39)18-26-22(21-15-16-47-20-21)11-14-28(41-26)40-25-13-12-24(37-50-35(7,8)36(9,10)51-37)23-17-43(30(44)29(23)25)32(46)49-34(4,5)6;1-29(2,3)42-27(39)36(15-23(32)33)14-22-18(17-11-12-41-16-17)7-10-24(35-22)34-21-9-8-20(31)19-13-37(26(38)25(19)21)28(40)43-30(4,5)6;1-17(2,3)25-16(23)22(9-14(18)19)8-13-12(4-5-15(20)21-13)11-6-7-24-10-11;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;8-5-1-2-11-6(9)4-10-7(11)3-5/h11-18,22,30H,7-10,19-21H2,1-6H3,(H,43,44);3*7-11,13,15-16,21,29H,12,14,17-20H2,1-6H3,(H,42,43);11-14,21,27H,15-20H2,1-10H3,(H,40,41);7-10,17,23H,11-16H2,1-6H3,(H,34,35);4-5,11,14H,6-10H2,1-3H3,(H2,20,21);4-5H,6H2,1-3H3;1-4H/t;21-;;;;;;;/m.1......./s1
InChIKeyBRKSLVRKPTUORX-ATXNQLPDSA-N
MW5192.84 g/mol
LogP54.50
Rot. Bonds52

About tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine

tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine (PubChem CID 157438848) has the molecular formula C252H294BBrCl2F19IN38O43 and a molecular weight of 5192.84 g/mol. Its IUPAC name is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine
PubChem CID157438848
Molecular FormulaC252H294BBrCl2F19IN38O43
Molecular Weight5192.84 g/mol
Exact Mass5187.94
IUPAC Nametert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine
SMILESCC(C)(C)OC(=O)N(Cc1nc(N)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCCC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1[C@@H]1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.Fc1ccn2c(I)cnc2c1
InChIInChI=1S/C38H43F3N6O5.3C37H41F3N6O6.C36H49BF2N4O8.C30H37ClF2N4O6.C17H25F2N3O3.C13H13BrClNO3.C7H4FIN2/c1-37(2,3)51-35(49)45(21-30(40)41)20-28-24(22-9-7-8-10-22)12-14-31(44-28)43-27-13-11-25(29-18-42-32-17-23(39)15-16-46(29)32)26-19-47(34(48)33(26)27)36(50)52-38(4,5)6;3*1-36(2,3)51-34(48)44(19-29(39)40)18-27-23(21-12-14-50-20-21)8-10-30(43-27)42-26-9-7-24(28-16-41-31-15-22(38)11-13-45(28)31)25-17-46(33(47)32(25)26)35(49)52-37(4,5)6;1-33(2,3)48-31(45)42(19-27(38)39)18-26-22(21-15-16-47-20-21)11-14-28(41-26)40-25-13-12-24(37-50-35(7,8)36(9,10)51-37)23-17-43(30(44)29(23)25)32(46)49-34(4,5)6;1-29(2,3)42-27(39)36(15-23(32)33)14-22-18(17-11-12-41-16-17)7-10-24(35-22)34-21-9-8-20(31)19-13-37(26(38)25(19)21)28(40)43-30(4,5)6;1-17(2,3)25-16(23)22(9-14(18)19)8-13-12(4-5-15(20)21-13)11-6-7-24-10-11;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;8-5-1-2-11-6(9)4-10-7(11)3-5/h11-18,22,30H,7-10,19-21H2,1-6H3,(H,43,44);3*7-11,13,15-16,21,29H,12,14,17-20H2,1-6H3,(H,42,43);11-14,21,27H,15-20H2,1-10H3,(H,40,41);7-10,17,23H,11-16H2,1-6H3,(H,34,35);4-5,11,14H,6-10H2,1-3H3,(H2,20,21);4-5H,6H2,1-3H3;1-4H/t;21-;;;;;;;/m.1......./s1
InChIKeyBRKSLVRKPTUORX-ATXNQLPDSA-N
XLogP54.50
TPSA881.82 Ų
H-Bond Donors7
H-Bond Acceptors67
Rotatable Bonds52
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005192.84
LogP ≤ 554.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1067

Analyze tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
The IUPAC name of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine (CID 157438848) is tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
The canonical SMILES for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N(Cc1nc(N)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCCC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1[C@@H]1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N(Cc1nc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)ccc1C1CCOC1)CC(F)F.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.Fc1ccn2c(I)cnc2c1.
What is the InChIKey of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
The InChIKey is BRKSLVRKPTUORX-ATXNQLPDSA-N. The full InChI is InChI=1S/C38H43F3N6O5.3C37H41F3N6O6.C36H49BF2N4O8.C30H37ClF2N4O6.C17H25F2N3O3.C13H13BrClNO3.C7H4FIN2/c1-37(2,3)51-35(49)45(21-30(40)41)20-28-24(22-9-7-8-10-22)12-14-31(44-28)43-27-13-11-25(29-18-42-32-17-23(39)15-16-46(29)32)26-19-47(34(48)33(26)27)36(50)52-38(4,5)6;3*1-36(2,3)51-34(48)44(19-29(39)40)18-27-23(21-12-14-50-20-21)8-10-30(43-27)42-26-9-7-24(28-16-41-31-15-22(38)11-13-45(28)31)25-17-46(33(47)32(25)26)35(49)52-37(4,5)6;1-33(2,3)48-31(45)42(19-27(38)39)18-26-22(21-15-16-47-20-21)11-14-28(41-26)40-25-13-12-24(37-50-35(7,8)36(9,10)51-37)23-17-43(30(44)29(23)25)32(46)49-34(4,5)6;1-29(2,3)42-27(39)36(15-23(32)33)14-22-18(17-11-12-41-16-17)7-10-24(35-22)34-21-9-8-20(31)19-13-37(26(38)25(19)21)28(40)43-30(4,5)6;1-17(2,3)25-16(23)22(9-14(18)19)8-13-12(4-5-15(20)21-13)11-6-7-24-10-11;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;8-5-1-2-11-6(9)4-10-7(11)3-5/h11-18,22,30H,7-10,19-21H2,1-6H3,(H,43,44);3*7-11,13,15-16,21,29H,12,14,17-20H2,1-6H3,(H,42,43);11-14,21,27H,15-20H2,1-10H3,(H,40,41);7-10,17,23H,11-16H2,1-6H3,(H,34,35);4-5,11,14H,6-10H2,1-3H3,(H2,20,21);4-5H,6H2,1-3H3;1-4H/t;21-;;;;;;;/m.1......./s1.
What are the key properties of tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?
tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine has a molecular weight of 5192.84 g/mol, XLogP of 54.50, 52 rotatable bonds, 7 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-amino-3-(oxolan-3-yl)-2-pyridinyl]methyl]-N-(2,2-difluoroethyl)carbamate;tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[5-cyclopentyl-6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 4-[[6-[[2,2-difluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 157438848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).