2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile

C67H64FN19O7 — CID 144651693

About 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile

2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile (PubChem CID 144651693) has the molecular formula C67H64FN19O7 and a molecular weight of 1266.37 g/mol. Its IUPAC name is 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
• PubChem CID: 144651693
• Molecular Formula: C67H64FN19O7
• Molecular Weight: 1266.37 g/mol
• Exact Mass: 1265.52
• IUPAC Name: 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
• SMILES: Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3cc(Cc4cnn(-c5c(F)cccc5C(=O)N5C[C@H](Oc6nccc(C)c6C#N)CC[C@H]5C)n4)ccc3-n3ncc(COc4ccc(C(=O)N5C[C@H](Oc6nccc(C)c6C#N)CC[C@H]5C)c(-n5nccn5)n4)n3)C2)c1C#N
• InChI: InChI=1S/C67H64FN19O7/c1-39-20-23-72-62(54(39)30-69)92-48-14-10-42(4)82(35-48)65(88)51-8-7-9-57(68)60(51)86-78-33-46(80-86)28-45-13-18-58(53(29-45)67(90)84-37-50(16-12-44(84)6)94-64-56(32-71)41(3)22-25-74-64)85-77-34-47(81-85)38-91-59-19-17-52(61(79-59)87-75-26-27-76-87)66(89)83-36-49(15-11-43(83)5)93-63-55(31-70)40(2)21-24-73-63/h7-9,13,17-27,29,33-34,42-44,48-50H,10-12,14-16,28,35-38H2,1-6H3/t42-,43-,44-,48-,49-,50-/m1/s1
• InChIKey: XGGPLYPOLWKLFA-UBCYOMGYSA-N
• XLogP: 8.07
• TPSA: 312.91 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1266.37
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?

The IUPAC name of 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile (CID 144651693) is 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile.

What is the SMILES notation for 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?

The canonical SMILES for 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile is Cc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3cc(Cc4cnn(-c5c(F)cccc5C(=O)N5C[C@H](Oc6nccc(C)c6C#N)CC[C@H]5C)n4)ccc3-n3ncc(COc4ccc(C(=O)N5C[C@H](Oc6nccc(C)c6C#N)CC[C@H]5C)c(-n5nccn5)n4)n3)C2)c1C#N.

What is the InChIKey of 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?

The InChIKey is XGGPLYPOLWKLFA-UBCYOMGYSA-N. The full InChI is InChI=1S/C67H64FN19O7/c1-39-20-23-72-62(54(39)30-69)92-48-14-10-42(4)82(35-48)65(88)51-8-7-9-57(68)60(51)86-78-33-46(80-86)28-45-13-18-58(53(29-45)67(90)84-37-50(16-12-44(84)6)94-64-56(32-71)41(3)22-25-74-64)85-77-34-47(81-85)38-91-59-19-17-52(61(79-59)87-75-26-27-76-87)66(89)83-36-49(15-11-43(83)5)93-63-55(31-70)40(2)21-24-73-63/h7-9,13,17-27,29,33-34,42-44,48-50H,10-12,14-16,28,35-38H2,1-6H3/t42-,43-,44-,48-,49-,50-/m1/s1.

What are the key properties of 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile?

2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile has a molecular weight of 1266.37 g/mol, XLogP of 8.07, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,6R)-1-[2-[4-[[3-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[(2R,5R)-5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 144651693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).