7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C71H84Cl6N20O9 — CID 160591318

About 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 160591318) has the molecular formula C71H84Cl6N20O9 and a molecular weight of 1574.30 g/mol. Its IUPAC name is 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 160591318
• Molecular Formula: C71H84Cl6N20O9
• Molecular Weight: 1574.30 g/mol
• Exact Mass: 1570.49
• IUPAC Name: 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CC(n1c(=O)[nH]c2ncc(Cl)cc21)C(C)(C)C.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(C)=O)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(CO)c21.CN(C)CCCn1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1C1CCOC1.O=c1[nH]c2ncc(Cl)cc2n1CCc1cccnc1
• InChI: InChI=1S/C13H11ClN4O.C13H16ClN3O2.C12H16ClN3O2.C12H16ClN3O.C11H15ClN4O.C10H10ClN3O2/c14-10-6-11-12(16-8-10)17-13(19)18(11)5-3-9-2-1-4-15-7-9;1-4-8(5-2)17-11-10(7(3)18)9(14)6-15-12(11)16-13(17)19;1-3-7(4-2)16-10-8(6-17)9(13)5-14-11(10)15-12(16)18;1-7(12(2,3)4)16-9-5-8(13)6-14-10(9)15-11(16)17;1-15(2)4-3-5-16-9-6-8(12)7-13-10(9)14-11(16)17;11-6-3-8-9(12-4-6)13-10(15)14(8)7-1-2-16-5-7/h1-2,4,6-8H,3,5H2,(H,16,17,19);6,8H,4-5H2,1-3H3,(H,15,16,19);5,7,17H,3-4,6H2,1-2H3,(H,14,15,18);5-7H,1-4H3,(H,14,15,17);6-7H,3-5H2,1-2H3,(H,13,14,17);3-4,7H,1-2,5H2,(H,12,13,15)
• InChIKey: RDBDAIFOGDUDIW-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 366.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1574.30
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 160591318) is 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is CC(n1c(=O)[nH]c2ncc(Cl)cc21)C(C)(C)C.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(C)=O)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(CO)c21.CN(C)CCCn1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1C1CCOC1.O=c1[nH]c2ncc(Cl)cc2n1CCc1cccnc1.

What is the InChIKey of 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is RDBDAIFOGDUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O.C13H16ClN3O2.C12H16ClN3O2.C12H16ClN3O.C11H15ClN4O.C10H10ClN3O2/c14-10-6-11-12(16-8-10)17-13(19)18(11)5-3-9-2-1-4-15-7-9;1-4-8(5-2)17-11-10(7(3)18)9(14)6-15-12(11)16-13(17)19;1-3-7(4-2)16-10-8(6-17)9(13)5-14-11(10)15-12(16)18;1-7(12(2,3)4)16-9-5-8(13)6-14-10(9)15-11(16)17;1-15(2)4-3-5-16-9-6-8(12)7-13-10(9)14-11(16)17;11-6-3-8-9(12-4-6)13-10(15)14(8)7-1-2-16-5-7/h1-2,4,6-8H,3,5H2,(H,16,17,19);6,8H,4-5H2,1-3H3,(H,15,16,19);5,7,17H,3-4,6H2,1-2H3,(H,14,15,18);5-7H,1-4H3,(H,14,15,17);6-7H,3-5H2,1-2H3,(H,13,14,17);3-4,7H,1-2,5H2,(H,12,13,15).

What are the key properties of 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?

7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1574.30 g/mol, XLogP of 12.84, 17 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-acetyl-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[3-(dimethylamino)propyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3,3-dimethylbutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(hydroxymethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(oxolan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 160591318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).