2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine

C58H64N12O10S2 — CID 157396038

About 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine

2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine (PubChem CID 157396038) has the molecular formula C58H64N12O10S2 and a molecular weight of 1153.36 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine
• PubChem CID: 157396038
• Molecular Formula: C58H64N12O10S2
• Molecular Weight: 1153.36 g/mol
• Exact Mass: 1152.43
• IUPAC Name: 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine
• SMILES: COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2cn3ccccc3n2)nnc1-c1cccnc1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2cn3ccccc3n2)nnc1-c1cccnc1
• InChI: InChI=1S/2C29H32N6O5S/c2*1-19(2)40-28(22-17-34-15-7-6-13-25(34)31-22)20(3)41(36,37)18-26-32-33-29(21-10-9-14-30-16-21)35(26)27-23(38-4)11-8-12-24(27)39-5/h2*6-17,19-20,28H,18H2,1-5H3/t2*20-,28+/m10/s1
• InChIKey: BMOTWMFXTLGFQI-MFBHQOLFSA-N
• XLogP: 8.93
• TPSA: 245.46 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1153.36
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine?

The IUPAC name of 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine (CID 157396038) is 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine is COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2cn3ccccc3n2)nnc1-c1cccnc1.COc1cccc(OC)c1-n1c(CS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2cn3ccccc3n2)nnc1-c1cccnc1.

What is the InChIKey of 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine?

The InChIKey is BMOTWMFXTLGFQI-MFBHQOLFSA-N. The full InChI is InChI=1S/2C29H32N6O5S/c2*1-19(2)40-28(22-17-34-15-7-6-13-25(34)31-22)20(3)41(36,37)18-26-32-33-29(21-10-9-14-30-16-21)35(26)27-23(38-4)11-8-12-24(27)39-5/h2*6-17,19-20,28H,18H2,1-5H3/t2*20-,28+/m10/s1.

What are the key properties of 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine?

2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine has a molecular weight of 1153.36 g/mol, XLogP of 8.93, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine;2-[(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]methylsulfonyl]-1-propan-2-yloxypropyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 157396038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).