6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one

C81H106Cl4FN21O7 — CID 159707543

About 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one

6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 159707543) has the molecular formula C81H106Cl4FN21O7 and a molecular weight of 1646.69 g/mol. Its IUPAC name is 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 159707543
• Molecular Formula: C81H106Cl4FN21O7
• Molecular Weight: 1646.69 g/mol
• Exact Mass: 1643.73
• IUPAC Name: 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one
• SMILES: C/C=C\c1ccc2[nH]c(=O)n(C(CC)CC)c2n1.CC(C)(C)Cn1c(=O)[nH]c2cc(Cl)cnc21.CC(C)Cn1c(=O)[nH]c2cc(Cl)cnc21.CCC(CC)Cn1c(=O)[nH]c2cc(Cl)cnc21.CCC(CC)n1c(=O)[nH]c2cc(F)cnc21.CCC(CC)n1c(=O)[nH]c2ccc(C)nc21.CCC(CC)n1c(=O)[nH]c2ccc(Cl)nc21
• InChI: InChI=1S/C14H19N3O.C12H16ClN3O.C12H17N3O.2C11H14ClN3O.C11H14FN3O.C10H12ClN3O/c1-4-7-10-8-9-12-13(15-10)17(14(18)16-12)11(5-2)6-3;1-3-8(4-2)7-16-11-10(15-12(16)17)5-9(13)6-14-11;1-4-9(5-2)15-11-10(14-12(15)16)7-6-8(3)13-11;1-11(2,3)6-15-9-8(14-10(15)16)4-7(12)5-13-9;1-3-7(4-2)15-10-8(13-11(15)16)5-6-9(12)14-10;1-3-8(4-2)15-10-9(14-11(15)16)5-7(12)6-13-10;1-6(2)5-14-9-8(13-10(14)15)3-7(11)4-12-9/h4,7-9,11H,5-6H2,1-3H3,(H,16,18);5-6,8H,3-4,7H2,1-2H3,(H,15,17);6-7,9H,4-5H2,1-3H3,(H,14,16);4-5H,6H2,1-3H3,(H,14,16);5-7H,3-4H2,1-2H3,(H,13,16);5-6,8H,3-4H2,1-2H3,(H,14,16);3-4,6H,5H2,1-2H3,(H,13,15)/b7-4-
• InChIKey: MYKJUQHCJPQPSI-GYWCJNLJSA-N
• XLogP: 17.75
• TPSA: 354.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1646.69
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one (CID 159707543) is 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one is C/C=C\c1ccc2[nH]c(=O)n(C(CC)CC)c2n1.CC(C)(C)Cn1c(=O)[nH]c2cc(Cl)cnc21.CC(C)Cn1c(=O)[nH]c2cc(Cl)cnc21.CCC(CC)Cn1c(=O)[nH]c2cc(Cl)cnc21.CCC(CC)n1c(=O)[nH]c2cc(F)cnc21.CCC(CC)n1c(=O)[nH]c2ccc(C)nc21.CCC(CC)n1c(=O)[nH]c2ccc(Cl)nc21.

What is the InChIKey of 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is MYKJUQHCJPQPSI-GYWCJNLJSA-N. The full InChI is InChI=1S/C14H19N3O.C12H16ClN3O.C12H17N3O.2C11H14ClN3O.C11H14FN3O.C10H12ClN3O/c1-4-7-10-8-9-12-13(15-10)17(14(18)16-12)11(5-2)6-3;1-3-8(4-2)7-16-11-10(15-12(16)17)5-9(13)6-14-11;1-4-9(5-2)15-11-10(14-12(15)16)7-6-8(3)13-11;1-11(2,3)6-15-9-8(14-10(15)16)4-7(12)5-13-9;1-3-7(4-2)15-10-8(13-11(15)16)5-6-9(12)14-10;1-3-8(4-2)15-10-9(14-11(15)16)5-7(12)6-13-10;1-6(2)5-14-9-8(13-10(14)15)3-7(11)4-12-9/h4,7-9,11H,5-6H2,1-3H3,(H,16,18);5-6,8H,3-4,7H2,1-2H3,(H,15,17);6-7,9H,4-5H2,1-3H3,(H,14,16);4-5H,6H2,1-3H3,(H,14,16);5-7H,3-4H2,1-2H3,(H,13,16);5-6,8H,3-4H2,1-2H3,(H,14,16);3-4,6H,5H2,1-2H3,(H,13,15)/b7-4-;;;;;;.

What are the key properties of 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one?

6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1646.69 g/mol, XLogP of 17.75, 20 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(2,2-dimethylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-ethylbutyl)-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one;5-chloro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;6-fluoro-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;5-methyl-3-pentan-3-yl-1H-imidazo[4,5-b]pyridin-2-one;3-pentan-3-yl-5-[(Z)-prop-1-enyl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 159707543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).