5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide

C78H92N16O13S3 — CID 159555359

About 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide

5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 159555359) has the molecular formula C78H92N16O13S3 and a molecular weight of 1557.89 g/mol. Its IUPAC name is 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
• PubChem CID: 159555359
• Molecular Formula: C78H92N16O13S3
• Molecular Weight: 1557.89 g/mol
• Exact Mass: 1556.62
• IUPAC Name: 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
• SMILES: Cc1cc(-c2ccc3ncc(N(C)CC4CCCC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCCOC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCCOC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOCC4)n3c2)cn(C)c1=O
• InChI: InChI=1S/C21H26N4O.3C19H22N4O4S/c1-15-10-18(13-24(3)21(15)26)17-8-9-19-22-11-20(25(19)14-17)23(2)12-16-6-4-5-7-16;1-13-9-15(11-22(2)19(13)24)14-3-4-17-20-10-18(23(17)12-14)28(25,26)21-16-5-7-27-8-6-16;2*1-13-8-15(10-22(2)19(13)24)14-5-6-17-20-9-18(23(17)11-14)28(25,26)21-16-4-3-7-27-12-16/h8-11,13-14,16H,4-7,12H2,1-3H3;3-4,9-12,16,21H,5-8H2,1-2H3;2*5-6,8-11,16,21H,3-4,7,12H2,1-2H3
• InChIKey: MFXNRQTWFOJQIZ-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 326.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.89
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?

The IUPAC name of 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 159555359) is 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide.

What is the SMILES notation for 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?

The canonical SMILES for 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide is Cc1cc(-c2ccc3ncc(N(C)CC4CCCC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCCOC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCCOC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOCC4)n3c2)cn(C)c1=O.

What is the InChIKey of 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?

The InChIKey is MFXNRQTWFOJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O.3C19H22N4O4S/c1-15-10-18(13-24(3)21(15)26)17-8-9-19-22-11-20(25(19)14-17)23(2)12-16-6-4-5-7-16;1-13-9-15(11-22(2)19(13)24)14-3-4-17-20-10-18(23(17)12-14)28(25,26)21-16-5-7-27-8-6-16;2*1-13-8-15(10-22(2)19(13)24)14-5-6-17-20-9-18(23(17)11-14)28(25,26)21-16-4-3-7-27-12-16/h8-11,13-14,16H,4-7,12H2,1-3H3;3-4,9-12,16,21H,5-8H2,1-2H3;2*5-6,8-11,16,21H,3-4,7,12H2,1-2H3.

What are the key properties of 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide?

5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 1557.89 g/mol, XLogP of 8.03, 16 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[cyclopentylmethyl(methyl)amino]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide);6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 159555359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).