7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

C82H102Cl7N25O11 — CID 158490702

About 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 158490702) has the molecular formula C82H102Cl7N25O11 and a molecular weight of 1862.05 g/mol. Its IUPAC name is 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 158490702
• Molecular Formula: C82H102Cl7N25O11
• Molecular Weight: 1862.05 g/mol
• Exact Mass: 1857.60
• IUPAC Name: 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CC(C)(C)C(CO)n1c(=O)[nH]c2ncc(Cl)cc21.CC(C)(C)n1c(=O)[nH]c2ncc(Cl)cc21.CC(C)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(C)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2nccc(CN)c21.CCC(COC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](C)n1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1CCO
• InChI: InChI=1S/C12H16ClN3O2.C12H18N4O.C11H14ClN3O2.3C10H12ClN3O.C9H10ClN3O.C8H8ClN3O2/c1-12(2,3)9(6-17)16-8-4-7(13)5-14-10(8)15-11(16)18;1-3-9(4-2)16-10-8(7-13)5-6-14-11(10)15-12(16)17;1-3-8(6-17-2)15-9-4-7(12)5-13-10(9)14-11(15)16;1-10(2,3)14-7-4-6(11)5-12-8(7)13-9(14)15;2*1-3-6(2)14-8-4-7(11)5-12-9(8)13-10(14)15;1-5(2)13-7-3-6(10)4-11-8(7)12-9(13)14;9-5-3-6-7(10-4-5)11-8(14)12(6)1-2-13/h4-5,9,17H,6H2,1-3H3,(H,14,15,18);5-6,9H,3-4,7,13H2,1-2H3,(H,14,15,17);4-5,8H,3,6H2,1-2H3,(H,13,14,16);4-5H,1-3H3,(H,12,13,15);2*4-6H,3H2,1-2H3,(H,12,13,15);3-5H,1-2H3,(H,11,12,14);3-4,13H,1-2H2,(H,10,11,14)/t;;;;6-;;;/m....1.../s1
• InChIKey: HIQSTRNMKXYLNU-OFUAGWANSA-N
• XLogP: 14.64
• TPSA: 481.15 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1862.05
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 158490702) is 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is CC(C)(C)C(CO)n1c(=O)[nH]c2ncc(Cl)cc21.CC(C)(C)n1c(=O)[nH]c2ncc(Cl)cc21.CC(C)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(C)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2nccc(CN)c21.CCC(COC)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](C)n1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1CCO.

What is the InChIKey of 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is HIQSTRNMKXYLNU-OFUAGWANSA-N. The full InChI is InChI=1S/C12H16ClN3O2.C12H18N4O.C11H14ClN3O2.3C10H12ClN3O.C9H10ClN3O.C8H8ClN3O2/c1-12(2,3)9(6-17)16-8-4-7(13)5-14-10(8)15-11(16)18;1-3-9(4-2)16-10-8(7-13)5-6-14-11(10)15-12(16)17;1-3-8(6-17-2)15-9-4-7(12)5-13-10(9)14-11(15)16;1-10(2,3)14-7-4-6(11)5-12-8(7)13-9(14)15;2*1-3-6(2)14-8-4-7(11)5-12-9(8)13-10(14)15;1-5(2)13-7-3-6(10)4-11-8(7)12-9(13)14;9-5-3-6-7(10-4-5)11-8(14)12(6)1-2-13/h4-5,9,17H,6H2,1-3H3,(H,14,15,18);5-6,9H,3-4,7,13H2,1-2H3,(H,14,15,17);4-5,8H,3,6H2,1-2H3,(H,13,14,16);4-5H,1-3H3,(H,12,13,15);2*4-6H,3H2,1-2H3,(H,12,13,15);3-5H,1-2H3,(H,11,12,14);3-4,13H,1-2H2,(H,10,11,14)/t;;;;6-;;;/m....1.../s1.

What are the key properties of 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1862.05 g/mol, XLogP of 14.64, 17 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(aminomethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;1-[(2R)-butan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-butan-2-yl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;1-tert-butyl-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-hydroxyethyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-methoxybutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158490702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).