6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one

C87H122Cl7N27O12 — CID 161116151

About 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 161116151) has the molecular formula C87H122Cl7N27O12 and a molecular weight of 1986.28 g/mol. Its IUPAC name is 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 161116151
• Molecular Formula: C87H122Cl7N27O12
• Molecular Weight: 1986.28 g/mol
• Exact Mass: 1981.76
• IUPAC Name: 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(=O)O)c21.CCCNC[C@@H](CC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN(C)CCO)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN(C)CCOC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CNC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CNCCO)n1c(=O)[nH]c2ncc(Cl)cc21
• InChI: InChI=1S/C14H21ClN4O2.C13H19ClN4O2.C13H19ClN4O.C12H17ClN4O2.C12H17ClN4O.C12H14ClN3O3.C11H15ClN4O/c1-4-11(9-18(2)5-6-21-3)19-12-7-10(15)8-16-13(12)17-14(19)20;1-3-10(8-17(2)4-5-19)18-11-6-9(14)7-15-12(11)16-13(18)20;1-3-5-15-8-10(4-2)18-11-6-9(14)7-16-12(11)17-13(18)19;1-2-9(7-14-3-4-18)17-10-5-8(13)6-15-11(10)16-12(17)19;1-4-9(7-16(2)3)17-10-5-8(13)6-14-11(10)15-12(17)18;1-3-6(4-2)16-9-8(11(17)18)7(13)5-14-10(9)15-12(16)19;1-3-8(6-13-2)16-9-4-7(12)5-14-10(9)15-11(16)17/h7-8,11H,4-6,9H2,1-3H3,(H,16,17,20);6-7,10,19H,3-5,8H2,1-2H3,(H,15,16,20);6-7,10,15H,3-5,8H2,1-2H3,(H,16,17,19);5-6,9,14,18H,2-4,7H2,1H3,(H,15,16,19);5-6,9H,4,7H2,1-3H3,(H,14,15,18);5-6H,3-4H2,1-2H3,(H,17,18)(H,14,15,19);4-5,8,13H,3,6H2,1-2H3,(H,14,15,17)/t11-;2*10-;2*9-;;8-/m11111.1/s1
• InChIKey: UKIMNSNDYYJXBL-UUMHKFCWSA-N
• XLogP: 12.28
• TPSA: 487.56 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.28
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 161116151) is 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(=O)O)c21.CCCNC[C@@H](CC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN(C)CCO)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN(C)CCOC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CNC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CNCCO)n1c(=O)[nH]c2ncc(Cl)cc21.

What is the InChIKey of 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is UKIMNSNDYYJXBL-UUMHKFCWSA-N. The full InChI is InChI=1S/C14H21ClN4O2.C13H19ClN4O2.C13H19ClN4O.C12H17ClN4O2.C12H17ClN4O.C12H14ClN3O3.C11H15ClN4O/c1-4-11(9-18(2)5-6-21-3)19-12-7-10(15)8-16-13(12)17-14(19)20;1-3-10(8-17(2)4-5-19)18-11-6-9(14)7-15-12(11)16-13(18)20;1-3-5-15-8-10(4-2)18-11-6-9(14)7-16-12(11)17-13(18)19;1-2-9(7-14-3-4-18)17-10-5-8(13)6-15-11(10)16-12(17)19;1-4-9(7-16(2)3)17-10-5-8(13)6-14-11(10)15-12(17)18;1-3-6(4-2)16-9-8(11(17)18)7(13)5-14-10(9)15-12(16)19;1-3-8(6-13-2)16-9-4-7(12)5-14-10(9)15-11(16)17/h7-8,11H,4-6,9H2,1-3H3,(H,16,17,20);6-7,10,19H,3-5,8H2,1-2H3,(H,15,16,20);6-7,10,15H,3-5,8H2,1-2H3,(H,16,17,19);5-6,9,14,18H,2-4,7H2,1H3,(H,15,16,19);5-6,9H,4,7H2,1-3H3,(H,14,15,18);5-6H,3-4H2,1-2H3,(H,17,18)(H,14,15,19);4-5,8,13H,3,6H2,1-2H3,(H,14,15,17)/t11-;2*10-;2*9-;;8-/m11111.1/s1.

What are the key properties of 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one?

6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1986.28 g/mol, XLogP of 12.28, 37 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[(2R)-1-(dimethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(2-hydroxyethylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-hydroxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-(methylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid;6-chloro-1-[(2R)-1-(propylamino)butan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 161116151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).