(1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol

C104H120N24O28S4 — CID 157441705

About (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol

(1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol (PubChem CID 157441705) has the molecular formula C104H120N24O28S4 and a molecular weight of 2282.51 g/mol. Its IUPAC name is (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol.

Molecular Properties

• Compound Name: (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol
• PubChem CID: 157441705
• Molecular Formula: C104H120N24O28S4
• Molecular Weight: 2282.51 g/mol
• Exact Mass: 2280.76
• IUPAC Name: (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol
• SMILES: COc1cccc(-c2nnc(CS(=O)(=O)[C@@H](C)[C@@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1.COc1cccc(-c2nnc(CS(=O)(=O)[C@@H](C)[C@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1.COc1cccc(-c2nnc(CS(=O)(=O)[C@H](C)[C@@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1.COc1cccc(-c2nnc(CS(=O)(=O)[C@H](C)[C@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1
• InChI: InChI=1S/4C26H30N6O7S/c4*1-15-13-27-22(26(28-15)39-6)24(33)16(2)40(34,35)14-20-30-31-25(17-9-7-12-21(29-17)38-5)32(20)23-18(36-3)10-8-11-19(23)37-4/h4*7-13,16,24,33H,14H2,1-6H3/t2*16-,24+;2*16-,24-/m1010/s1
• InChIKey: BRTFDJRHXMZZFH-QPHGHXRMSA-N
• XLogP: 10.00
• TPSA: 642.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 52
• Rotatable Bonds: 44
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2282.51
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol?

The IUPAC name of (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol (CID 157441705) is (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol.

What is the SMILES notation for (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol?

The canonical SMILES for (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol is COc1cccc(-c2nnc(CS(=O)(=O)[C@@H](C)[C@@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1.COc1cccc(-c2nnc(CS(=O)(=O)[C@@H](C)[C@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1.COc1cccc(-c2nnc(CS(=O)(=O)[C@H](C)[C@@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1.COc1cccc(-c2nnc(CS(=O)(=O)[C@H](C)[C@H](O)c3ncc(C)nc3OC)n2-c2c(OC)cccc2OC)n1.

What is the InChIKey of (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol?

The InChIKey is BRTFDJRHXMZZFH-QPHGHXRMSA-N. The full InChI is InChI=1S/4C26H30N6O7S/c4*1-15-13-27-22(26(28-15)39-6)24(33)16(2)40(34,35)14-20-30-31-25(17-9-7-12-21(29-17)38-5)32(20)23-18(36-3)10-8-11-19(23)37-4/h4*7-13,16,24,33H,14H2,1-6H3/t2*16-,24+;2*16-,24-/m1010/s1.

What are the key properties of (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol?

(1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol has a molecular weight of 2282.51 g/mol, XLogP of 10.00, 44 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2R)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1S,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol;(1R,2S)-2-[[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]methylsulfonyl]-1-(3-methoxy-5-methylpyrazin-2-yl)propan-1-ol is sourced from PubChem (CID 157441705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).