2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C32H34F3N7O2 — CID 157113299

About 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone

2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 157113299) has the molecular formula C32H34F3N7O2 and a molecular weight of 605.67 g/mol. Its IUPAC name is 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 157113299
• Molecular Formula: C32H34F3N7O2
• Molecular Weight: 605.67 g/mol
• Exact Mass: 605.27
• IUPAC Name: 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• SMILES: Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N3CCC(CN4CCOCC4)CC3)c2)nn1
• InChI: InChI=1S/C32H34F3N7O2/c1-22-30(15-24(19-37-22)16-31(43)28-18-26(5-8-36-28)32(33,34)35)42-21-29(38-39-42)25-3-2-4-27(17-25)41-9-6-23(7-10-41)20-40-11-13-44-14-12-40/h2-5,8,15,17-19,21,23H,6-7,9-14,16,20H2,1H3
• InChIKey: AHCFJNNSNMOYQM-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 89.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.67
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The IUPAC name of 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 157113299) is 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The canonical SMILES for 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone is Cc1ncc(CC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cccc(N3CCC(CN4CCOCC4)CC3)c2)nn1.

What is the InChIKey of 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The InChIKey is AHCFJNNSNMOYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O2/c1-22-30(15-24(19-37-22)16-31(43)28-18-26(5-8-36-28)32(33,34)35)42-21-29(38-39-42)25-3-2-4-27(17-25)41-9-6-23(7-10-41)20-40-11-13-44-14-12-40/h2-5,8,15,17-19,21,23H,6-7,9-14,16,20H2,1H3.

What are the key properties of 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 605.67 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-methyl-5-[4-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]phenyl]triazol-1-yl]-3-pyridinyl]-1-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 157113299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).