tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine

C262H290BBrCl2F7IN50O34 — CID 158487859

IUPACtert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine
SMILESC.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CC(c1ccc(N)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)nc1)N1CCOCC1.C[C@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)nc1)N1CCOCC1.Fc1ccn2c(I)cnc2c1
InChIInChI=1S/4C31H33FN6O4.C30H41BN4O6.2C26H25FN6O2.C24H29ClN4O4.C13H13BrClNO3.C11H17N3O.C7H4FIN2.CH4/c4*1-19(36-11-13-41-14-12-36)20-5-8-26(33-16-20)35-24-7-6-22(25-17-34-27-15-21(32)9-10-37(25)27)23-18-38(29(39)28(23)24)30(40)42-31(2,3)4;1-19(34-13-15-38-16-14-34)20-9-12-24(32-17-20)33-23-11-10-22(31-40-29(5,6)30(7,8)41-31)21-18-35(26(36)25(21)23)27(37)39-28(2,3)4;2*1-16(32-8-10-35-11-9-32)17-2-5-23(28-13-17)31-21-4-3-19(20-14-30-26(34)25(20)21)22-15-29-24-12-18(27)6-7-33(22)24;1-15(28-9-11-32-12-10-28)16-5-8-20(26-13-16)27-19-7-6-18(25)17-14-29(22(30)21(17)19)23(31)33-24(2,3)4;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-9(14-4-6-15-7-5-14)10-2-3-11(12)13-8-10;8-5-1-2-11-6(9)4-10-7(11)3-5;/h4*5-10,15-17,19H,11-14,18H2,1-4H3,(H,33,35);9-12,17,19H,13-16,18H2,1-8H3,(H,32,33);2*2-7,12-13,15-16H,8-11,14H2,1H3,(H,28,31)(H,30,34);5-8,13,15H,9-12,14H2,1-4H3,(H,26,27);4-5H,6H2,1-3H3;2-3,8-9H,4-7H2,1H3,(H2,12,13);1-4H;1H4/t2*19-;;;;2*16-;;;;;/m10...10...../s1
InChIKeyHIHZOCPDQHWLQI-IYVWERFOSA-N
MW5105.03 g/mol
LogP47.02
Rot. Bonds41

About tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine

tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 158487859) has the molecular formula C262H290BBrCl2F7IN50O34 and a molecular weight of 5105.03 g/mol. Its IUPAC name is tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Nametert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID158487859
Molecular FormulaC262H290BBrCl2F7IN50O34
Molecular Weight5105.03 g/mol
Exact Mass5100.01
IUPAC Nametert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine
SMILESC.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CC(c1ccc(N)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)nc1)N1CCOCC1.C[C@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)nc1)N1CCOCC1.Fc1ccn2c(I)cnc2c1
InChIInChI=1S/4C31H33FN6O4.C30H41BN4O6.2C26H25FN6O2.C24H29ClN4O4.C13H13BrClNO3.C11H17N3O.C7H4FIN2.CH4/c4*1-19(36-11-13-41-14-12-36)20-5-8-26(33-16-20)35-24-7-6-22(25-17-34-27-15-21(32)9-10-37(25)27)23-18-38(29(39)28(23)24)30(40)42-31(2,3)4;1-19(34-13-15-38-16-14-34)20-9-12-24(32-17-20)33-23-11-10-22(31-40-29(5,6)30(7,8)41-31)21-18-35(26(36)25(21)23)27(37)39-28(2,3)4;2*1-16(32-8-10-35-11-9-32)17-2-5-23(28-13-17)31-21-4-3-19(20-14-30-26(34)25(20)21)22-15-29-24-12-18(27)6-7-33(22)24;1-15(28-9-11-32-12-10-28)16-5-8-20(26-13-16)27-19-7-6-18(25)17-14-29(22(30)21(17)19)23(31)33-24(2,3)4;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-9(14-4-6-15-7-5-14)10-2-3-11(12)13-8-10;8-5-1-2-11-6(9)4-10-7(11)3-5;/h4*5-10,15-17,19H,11-14,18H2,1-4H3,(H,33,35);9-12,17,19H,13-16,18H2,1-8H3,(H,32,33);2*2-7,12-13,15-16H,8-11,14H2,1H3,(H,28,31)(H,30,34);5-8,13,15H,9-12,14H2,1-4H3,(H,26,27);4-5H,6H2,1-3H3;2-3,8-9H,4-7H2,1H3,(H2,12,13);1-4H;1H4/t2*19-;;;;2*16-;;;;;/m10...10...../s1
InChIKeyHIHZOCPDQHWLQI-IYVWERFOSA-N
XLogP47.02
TPSA874.53 Ų
H-Bond Donors11
H-Bond Acceptors75
Rotatable Bonds41
Heavy Atoms358
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005105.03
LogP ≤ 547.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1075

Analyze tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine (CID 158487859) is tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine is C.CC(C)(C)OC(=O)N1Cc2c(Cl)ccc(Br)c2C1=O.CC(c1ccc(N)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(B3OC(C)(C)C(C)(C)O3)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.CC(c1ccc(Nc2ccc(Cl)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)nc1)N1CCOCC1.C[C@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)N(C(=O)OC(C)(C)C)C3)nc1)N1CCOCC1.C[C@H](c1ccc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)nc1)N1CCOCC1.Fc1ccn2c(I)cnc2c1.
What is the InChIKey of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is HIHZOCPDQHWLQI-IYVWERFOSA-N. The full InChI is InChI=1S/4C31H33FN6O4.C30H41BN4O6.2C26H25FN6O2.C24H29ClN4O4.C13H13BrClNO3.C11H17N3O.C7H4FIN2.CH4/c4*1-19(36-11-13-41-14-12-36)20-5-8-26(33-16-20)35-24-7-6-22(25-17-34-27-15-21(32)9-10-37(25)27)23-18-38(29(39)28(23)24)30(40)42-31(2,3)4;1-19(34-13-15-38-16-14-34)20-9-12-24(32-17-20)33-23-11-10-22(31-40-29(5,6)30(7,8)41-31)21-18-35(26(36)25(21)23)27(37)39-28(2,3)4;2*1-16(32-8-10-35-11-9-32)17-2-5-23(28-13-17)31-21-4-3-19(20-14-30-26(34)25(20)21)22-15-29-24-12-18(27)6-7-33(22)24;1-15(28-9-11-32-12-10-28)16-5-8-20(26-13-16)27-19-7-6-18(25)17-14-29(22(30)21(17)19)23(31)33-24(2,3)4;1-13(2,3)19-12(18)16-6-7-9(15)5-4-8(14)10(7)11(16)17;1-9(14-4-6-15-7-5-14)10-2-3-11(12)13-8-10;8-5-1-2-11-6(9)4-10-7(11)3-5;/h4*5-10,15-17,19H,11-14,18H2,1-4H3,(H,33,35);9-12,17,19H,13-16,18H2,1-8H3,(H,32,33);2*2-7,12-13,15-16H,8-11,14H2,1H3,(H,28,31)(H,30,34);5-8,13,15H,9-12,14H2,1-4H3,(H,26,27);4-5H,6H2,1-3H3;2-3,8-9H,4-7H2,1H3,(H2,12,13);1-4H;1H4/t2*19-;;;;2*16-;;;;;/m10...10...../s1.
What are the key properties of tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine?
tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 5105.03 g/mol, XLogP of 47.02, 41 rotatable bonds, 11 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-bromo-7-chloro-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-chloro-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-(1-morpholin-4-ylethyl)-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;7-fluoro-3-iodoimidazo[1,2-a]pyridine;methane;5-(1-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 158487859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).