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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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

C136H191N29O22 — CID 157152468

IUPAC2-[[(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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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.CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1O[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.C27H37N5O5.C26H37N7O4.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;1-27(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)16-6-8-17(9-7-16)31-25(36)29-11-5-13-32(4)14-19-21(34)22(35)24(37-19)33-15-30-20-18(27)10-12-28-23(20)33;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);5-6,8-9,11-12,16,20,23-24,26,34-35H,7,10,13-15H2,1-4H3,(H2,28,29);6-10,12,15,19,21-22,24,34-35H,5,11,13-14H2,1-4H3,(H2,27,28)(H2,29,31,36);5-10,15,19,22-23,25,33-34H,11-14H2,1-4H3,(H2,27,28)/t22-,25-,26-,28-;21-,24-,25-,27-;20-,23-,24-,26-;19?,21-,22-,24-;19-,22-,23-,25-/m11111/s1
InChIKeyALKLMPIIOCJRON-GABDFZBRSA-N
MW2584.20 g/mol
LogP10.01
Rot. Bonds44

About 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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

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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 157152468) has the molecular formula C136H191N29O22 and a molecular weight of 2584.20 g/mol. Its IUPAC name is 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 Name2-[[(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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 CID157152468
Molecular FormulaC136H191N29O22
Molecular Weight2584.20 g/mol
Exact Mass2582.47
IUPAC Name2-[[(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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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.CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1O[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.C27H37N5O5.C26H37N7O4.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;1-27(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)16-6-8-17(9-7-16)31-25(36)29-11-5-13-32(4)14-19-21(34)22(35)24(37-19)33-15-30-20-18(27)10-12-28-23(20)33;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);5-6,8-9,11-12,16,20,23-24,26,34-35H,7,10,13-15H2,1-4H3,(H2,28,29);6-10,12,15,19,21-22,24,34-35H,5,11,13-14H2,1-4H3,(H2,27,28)(H2,29,31,36);5-10,15,19,22-23,25,33-34H,11-14H2,1-4H3,(H2,27,28)/t22-,25-,26-,28-;21-,24-,25-,27-;20-,23-,24-,26-;19?,21-,22-,24-;19-,22-,23-,25-/m11111/s1
InChIKeyALKLMPIIOCJRON-GABDFZBRSA-N
XLogP10.01
TPSA700.23 Ų
H-Bond Donors19
H-Bond Acceptors47
Rotatable Bonds44
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.20
LogP ≤ 510.01
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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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Frequently Asked Questions

What is the IUPAC name of 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 157152468) is 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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.CN(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1O[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 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 ALKLMPIIOCJRON-GABDFZBRSA-N. The full InChI is InChI=1S/C29H42N6O4.C28H40N6O4.C27H37N5O5.C26H37N7O4.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;1-27(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)16-6-8-17(9-7-16)31-25(36)29-11-5-13-32(4)14-19-21(34)22(35)24(37-19)33-15-30-20-18(27)10-12-28-23(20)33;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);5-6,8-9,11-12,16,20,23-24,26,34-35H,7,10,13-15H2,1-4H3,(H2,28,29);6-10,12,15,19,21-22,24,34-35H,5,11,13-14H2,1-4H3,(H2,27,28)(H2,29,31,36);5-10,15,19,22-23,25,33-34H,11-14H2,1-4H3,(H2,27,28)/t22-,25-,26-,28-;21-,24-,25-,27-;20-,23-,24-,26-;19?,21-,22-,24-;19-,22-,23-,25-/m11111/s1.
What are the key properties of 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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?
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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 2584.20 g/mol, XLogP of 10.01, 44 rotatable bonds, 19 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-[3-[[(3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea;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 157152468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).