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

C99H100N20O11S2 — CID 160654129

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

1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide) (PubChem CID 160654129) has the molecular formula C99H100N20O11S2 and a molecular weight of 1810.15 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide).

Molecular Properties

• Compound Name: 1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide)
• PubChem CID: 160654129
• Molecular Formula: C99H100N20O11S2
• Molecular Weight: 1810.15 g/mol
• Exact Mass: 1808.73
• IUPAC Name: 1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide)
• SMILES: Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOC4)n3c2)cn(C)c1=O.Cc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1Cc1ccccn1.Cc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1Cc1cccnc1.Cc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1Cc1ccncc1
• InChI: InChI=1S/3C21H20N4O.2C18H20N4O4S/c1-14-10-18(12-24(3)21(14)26)17-4-5-20-23-15(2)19(25(20)13-17)11-16-6-8-22-9-7-16;1-14-9-18(12-24(3)21(14)26)17-6-7-20-23-15(2)19(25(20)13-17)10-16-5-4-8-22-11-16;1-14-10-17(12-24(3)21(14)26)16-7-8-20-23-15(2)19(25(20)13-16)11-18-6-4-5-9-22-18;2*1-12-7-14(9-21(2)18(12)23)13-3-4-16-19-8-17(22(16)10-13)27(24,25)20-15-5-6-26-11-15/h4-10,12-13H,11H2,1-3H3;4-9,11-13H,10H2,1-3H3;4-10,12-13H,11H2,1-3H3;2*3-4,7-10,15,20H,5-6,11H2,1-2H3
• InChIKey: RKUXLLJETRHUIJ-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 345.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.15
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide) (CID 160654129) is 1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide).

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

The canonical SMILES for 1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide) is Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOC4)n3c2)cn(C)c1=O.Cc1cc(-c2ccc3ncc(S(=O)(=O)NC4CCOC4)n3c2)cn(C)c1=O.Cc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1Cc1ccccn1.Cc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1Cc1cccnc1.Cc1nc2ccc(-c3cc(C)c(=O)n(C)c3)cn2c1Cc1ccncc1.

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

The InChIKey is RKUXLLJETRHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H20N4O.2C18H20N4O4S/c1-14-10-18(12-24(3)21(14)26)17-4-5-20-23-15(2)19(25(20)13-17)11-16-6-8-22-9-7-16;1-14-9-18(12-24(3)21(14)26)17-6-7-20-23-15(2)19(25(20)13-17)10-16-5-4-8-22-11-16;1-14-10-17(12-24(3)21(14)26)16-7-8-20-23-15(2)19(25(20)13-16)11-18-6-4-5-9-22-18;2*1-12-7-14(9-21(2)18(12)23)13-3-4-16-19-8-17(22(16)10-13)27(24,25)20-15-5-6-26-11-15/h4-10,12-13H,11H2,1-3H3;4-9,11-13H,10H2,1-3H3;4-10,12-13H,11H2,1-3H3;2*3-4,7-10,15,20H,5-6,11H2,1-2H3.

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

1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide) has a molecular weight of 1810.15 g/mol, XLogP of 12.06, 17 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-[2-methyl-3-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;bis(6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide) is sourced from PubChem (CID 160654129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).