N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide

C137H192N28O22 — CID 158496731

IUPACN-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide
SMILESCC(C)CN(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CCN(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCOC(=O)CCc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCOC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C29H42N6O4.C28H40N6O4.C27H38N6O4.C27H37N5O5.C26H35N5O5/c1-18(2)15-34(13-12-31-23(36)14-19-6-8-20(9-7-19)29(3,4)5)16-22-25(37)26(38)28(39-22)35-17-33-24-21(30)10-11-32-27(24)35;1-17(2)33(13-12-30-22(35)14-18-6-8-19(9-7-18)28(3,4)5)15-21-24(36)25(37)27(38-21)34-16-32-23-20(29)10-11-31-26(23)34;1-5-32(13-12-29-21(34)14-17-6-8-18(9-7-17)27(2,3)4)15-20-23(35)24(36)26(37-20)33-16-31-22-19(28)10-11-30-25(22)33;1-27(2,3)18-8-5-17(6-9-18)7-10-21(33)36-14-13-31(4)15-20-23(34)24(35)26(37-20)32-16-30-22-19(28)11-12-29-25(22)32;1-26(2,3)17-7-5-16(6-8-17)13-20(32)35-12-11-30(4)14-19-22(33)23(34)25(36-19)31-15-29-21-18(27)9-10-28-24(21)31/h6-11,17-18,22,25-26,28,37-38H,12-16H2,1-5H3,(H2,30,32)(H,31,36);6-11,16-17,21,24-25,27,36-37H,12-15H2,1-5H3,(H2,29,31)(H,30,35);6-11,16,20,23-24,26,35-36H,5,12-15H2,1-4H3,(H2,28,30)(H,29,34);5-6,8-9,11-12,16,20,23-24,26,34-35H,7,10,13-15H2,1-4H3,(H2,28,29);5-10,15,19,22-23,25,33-34H,11-14H2,1-4H3,(H2,27,28)/t22-,25-,26-,28-;21-,24-,25-,27-;2*20-,23-,24-,26-;19-,22-,23-,25-/m11111/s1
InChIKeyHJJPLRPRTHEGGY-SKHBMHCESA-N
MW2583.22 g/mol
LogP9.54
Rot. Bonds45

About N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide

N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide (PubChem CID 158496731) has the molecular formula C137H192N28O22 and a molecular weight of 2583.22 g/mol. Its IUPAC name is N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide
PubChem CID158496731
Molecular FormulaC137H192N28O22
Molecular Weight2583.22 g/mol
Exact Mass2581.48
IUPAC NameN-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide
SMILESCC(C)CN(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CCN(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCOC(=O)CCc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCOC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C29H42N6O4.C28H40N6O4.C27H38N6O4.C27H37N5O5.C26H35N5O5/c1-18(2)15-34(13-12-31-23(36)14-19-6-8-20(9-7-19)29(3,4)5)16-22-25(37)26(38)28(39-22)35-17-33-24-21(30)10-11-32-27(24)35;1-17(2)33(13-12-30-22(35)14-18-6-8-19(9-7-18)28(3,4)5)15-21-24(36)25(37)27(38-21)34-16-32-23-20(29)10-11-31-26(23)34;1-5-32(13-12-29-21(34)14-17-6-8-18(9-7-17)27(2,3)4)15-20-23(35)24(36)26(37-20)33-16-31-22-19(28)10-11-30-25(22)33;1-27(2,3)18-8-5-17(6-9-18)7-10-21(33)36-14-13-31(4)15-20-23(34)24(35)26(37-20)32-16-30-22-19(28)11-12-29-25(22)32;1-26(2,3)17-7-5-16(6-8-17)13-20(32)35-12-11-30(4)14-19-22(33)23(34)25(36-19)31-15-29-21-18(27)9-10-28-24(21)31/h6-11,17-18,22,25-26,28,37-38H,12-16H2,1-5H3,(H2,30,32)(H,31,36);6-11,16-17,21,24-25,27,36-37H,12-15H2,1-5H3,(H2,29,31)(H,30,35);6-11,16,20,23-24,26,35-36H,5,12-15H2,1-4H3,(H2,28,30)(H,29,34);5-6,8-9,11-12,16,20,23-24,26,34-35H,7,10,13-15H2,1-4H3,(H2,28,29);5-10,15,19,22-23,25,33-34H,11-14H2,1-4H3,(H2,27,28)/t22-,25-,26-,28-;21-,24-,25-,27-;2*20-,23-,24-,26-;19-,22-,23-,25-/m11111/s1
InChIKeyHJJPLRPRTHEGGY-SKHBMHCESA-N
XLogP9.54
TPSA688.20 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds45
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002583.22
LogP ≤ 59.54
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Analyze N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide with MolForge

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Related Compounds

(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid
CID 58590019
(2S)-3-[4-[1-[2-[2-[3-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-pentan-3-yl-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-2-[2-[2-[1-[4-[(2S)-2-carboxy-2-[[2-pentan-3-yl-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-3-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]propanoic acid
CID 58590023
(2S)-3-[4-[3-[2-[2-[1-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-pentan-3-yl-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propan-2-yl]oxyethoxy]ethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[2-pentan-3-yl-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid
CID 59460002
(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid;(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 157575443
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid
CID 158519134
2-[2-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol;tert-butyl (2S)-3-[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]propanoate;tert-butyl (2S)-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]-3-[4-(2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl)phenyl]propanoate
CID 158965968
2-[2-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol;tert-butyl (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propanoate;tert-butyl (2S)-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]-3-[4-(2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl)phenyl]propanoate
CID 159414440
2-[2-[2,3-bis[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethanol;tert-butyl (2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propanoate;tert-butyl (2S)-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)phenyl]propanoate
CID 159606015
1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;bis(1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(3-ethylphenyl)urea);1-(4-tert-butylphenyl)-3-[3-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]urea
CID 159889221
6-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(oxetan-3-yl)amino]-1-(4-tert-butylphenyl)hexan-2-one;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-hydroxyethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propyl]-3-(4-tert-butylphenyl)urea;butyl 4-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propylcarbamoylamino]benzoate;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[(1S,2R)-2-phenylcyclopropyl]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)hexan-2-one
CID 159927638
2-[2-[[(2R)-1-methoxypropan-2-yl]amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(oxan-4-ylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-[[(3S)-oxolan-3-yl]amino]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(oxolan-2-ylmethylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159981275
1-[(2S)-4-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]butan-2-yl]-3-(4-tert-butylphenyl)urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(3-ethylphenyl)urea;7-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]-1-(4-tert-butylphenyl)heptan-2-one;1-[3-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-(4-tert-butylphenyl)-3-[3-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]urea
CID 160428424

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide?
The IUPAC name of N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide (CID 158496731) is N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide?
The canonical SMILES for N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide is CC(C)CN(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CCN(CCNC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCOC(=O)CCc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCOC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide?
The InChIKey is HJJPLRPRTHEGGY-SKHBMHCESA-N. The full InChI is InChI=1S/C29H42N6O4.C28H40N6O4.C27H38N6O4.C27H37N5O5.C26H35N5O5/c1-18(2)15-34(13-12-31-23(36)14-19-6-8-20(9-7-19)29(3,4)5)16-22-25(37)26(38)28(39-22)35-17-33-24-21(30)10-11-32-27(24)35;1-17(2)33(13-12-30-22(35)14-18-6-8-19(9-7-18)28(3,4)5)15-21-24(36)25(37)27(38-21)34-16-32-23-20(29)10-11-31-26(23)34;1-5-32(13-12-29-21(34)14-17-6-8-18(9-7-17)27(2,3)4)15-20-23(35)24(36)26(37-20)33-16-31-22-19(28)10-11-30-25(22)33;1-27(2,3)18-8-5-17(6-9-18)7-10-21(33)36-14-13-31(4)15-20-23(34)24(35)26(37-20)32-16-30-22-19(28)11-12-29-25(22)32;1-26(2,3)17-7-5-16(6-8-17)13-20(32)35-12-11-30(4)14-19-22(33)23(34)25(36-19)31-15-29-21-18(27)9-10-28-24(21)31/h6-11,17-18,22,25-26,28,37-38H,12-16H2,1-5H3,(H2,30,32)(H,31,36);6-11,16-17,21,24-25,27,36-37H,12-15H2,1-5H3,(H2,29,31)(H,30,35);6-11,16,20,23-24,26,35-36H,5,12-15H2,1-4H3,(H2,28,30)(H,29,34);5-6,8-9,11-12,16,20,23-24,26,34-35H,7,10,13-15H2,1-4H3,(H2,28,29);5-10,15,19,22-23,25,33-34H,11-14H2,1-4H3,(H2,27,28)/t22-,25-,26-,28-;21-,24-,25-,27-;2*20-,23-,24-,26-;19-,22-,23-,25-/m11111/s1.
What are the key properties of N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide?
N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide has a molecular weight of 2583.22 g/mol, XLogP of 9.54, 45 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylamino]ethyl]-2-(4-tert-butylphenyl)acetamide;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 2-(4-tert-butylphenyl)acetate;2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl 3-(4-tert-butylphenyl)propanoate;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]ethyl]-2-(4-tert-butylphenyl)acetamide;N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]ethyl]-2-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 158496731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).