N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate

C109H154N24O17 — CID 159186841

About N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate

N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate (PubChem CID 159186841) has the molecular formula C109H154N24O17 and a molecular weight of 2072.58 g/mol. Its IUPAC name is N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate
• PubChem CID: 159186841
• Molecular Formula: C109H154N24O17
• Molecular Weight: 2072.58 g/mol
• Exact Mass: 2071.19
• IUPAC Name: N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate
• SMILES: CC(C)(C)c1ccc(CC(=O)NCCN(CCCCN)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CN(CCCC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCN(C)C(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCNC(=O)OCc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C29H43N7O4.C27H38N6O4.C27H37N5O4.C26H36N6O5/c1-29(2,3)20-8-6-19(7-9-20)16-23(37)32-13-15-35(14-5-4-11-30)17-22-25(38)26(39)28(40-22)36-18-34-24-21(31)10-12-33-27(24)36;1-27(2,3)18-8-6-17(7-9-18)14-21(34)32(5)13-12-31(4)15-20-23(35)24(36)26(37-20)33-16-30-22-19(28)10-11-29-25(22)33;1-27(2,3)18-9-7-17(8-10-18)14-19(33)6-5-13-31(4)15-21-23(34)24(35)26(36-21)32-16-30-22-20(28)11-12-29-25(22)32;1-26(2,3)17-7-5-16(6-8-17)14-36-25(35)29-11-12-31(4)13-19-21(33)22(34)24(37-19)32-15-30-20-18(27)9-10-28-23(20)32/h6-10,12,18,22,25-26,28,38-39H,4-5,11,13-17,30H2,1-3H3,(H2,31,33)(H,32,37);6-11,16,20,23-24,26,35-36H,12-15H2,1-5H3,(H2,28,29);7-12,16,21,23-24,26,34-35H,5-6,13-15H2,1-4H3,(H2,28,29);5-10,15,19,21-22,24,33-34H,11-14H2,1-4H3,(H2,27,28)(H,29,35)/t22-,25-,26-,28-;20-,23-,24-,26-;21-,23-,24-,26-;19-,21-,22-,24-/m1111/s1
• InChIKey: KNPCITVBWIPCFA-UFYNBQRJSA-N
• XLogP: 7.14
• TPSA: 569.47 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.58
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate?

The IUPAC name of N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate (CID 159186841) is N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate.

What is the SMILES notation for N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate?

The canonical SMILES for N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate is CC(C)(C)c1ccc(CC(=O)NCCN(CCCCN)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CN(CCCC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCN(C)C(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CN(CCNC(=O)OCc1ccc(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-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate?

The InChIKey is KNPCITVBWIPCFA-UFYNBQRJSA-N. The full InChI is InChI=1S/C29H43N7O4.C27H38N6O4.C27H37N5O4.C26H36N6O5/c1-29(2,3)20-8-6-19(7-9-20)16-23(37)32-13-15-35(14-5-4-11-30)17-22-25(38)26(39)28(40-22)36-18-34-24-21(31)10-12-33-27(24)36;1-27(2,3)18-8-6-17(7-9-18)14-21(34)32(5)13-12-31(4)15-20-23(35)24(36)26(37-20)33-16-30-22-19(28)10-11-29-25(22)33;1-27(2,3)18-9-7-17(8-10-18)14-19(33)6-5-13-31(4)15-21-23(34)24(35)26(36-21)32-16-30-22-20(28)11-12-29-25(22)32;1-26(2,3)17-7-5-16(6-8-17)14-36-25(35)29-11-12-31(4)13-19-21(33)22(34)24(37-19)32-15-30-20-18(27)9-10-28-23(20)32/h6-10,12,18,22,25-26,28,38-39H,4-5,11,13-17,30H2,1-3H3,(H2,31,33)(H,32,37);6-11,16,20,23-24,26,35-36H,12-15H2,1-5H3,(H2,28,29);7-12,16,21,23-24,26,34-35H,5-6,13-15H2,1-4H3,(H2,28,29);5-10,15,19,21-22,24,33-34H,11-14H2,1-4H3,(H2,27,28)(H,29,35)/t22-,25-,26-,28-;20-,23-,24-,26-;21-,23-,24-,26-;19-,21-,22-,24-/m1111/s1.

What are the key properties of N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate?

N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate has a molecular weight of 2072.58 g/mol, XLogP of 7.14, 37 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-aminobutyl-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]amino]ethyl]-2-(4-tert-butylphenyl)acetamide;5-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-1-(4-tert-butylphenyl)pentan-2-one;N-[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)-N-methylacetamide;(4-tert-butylphenyl)methyl N-[2-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]carbamate is sourced from PubChem (CID 159186841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).