(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

C22H19F3N6O3 — CID 90491605

About (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90491605) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 90491605
• Molecular Formula: C22H19F3N6O3
• Molecular Weight: 472.43 g/mol
• Exact Mass: 472.15
• IUPAC Name: (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: COc1ccc2cc(C(=O)N3CCN(c4ccc(-c5noc(C(F)(F)F)n5)cn4)CC3)[nH]c2c1
• InChI: InChI=1S/C22H19F3N6O3/c1-33-15-4-2-13-10-17(27-16(13)11-15)20(32)31-8-6-30(7-9-31)18-5-3-14(12-26-18)19-28-21(34-29-19)22(23,24)25/h2-5,10-12,27H,6-9H2,1H3
• InChIKey: LWLPHBYZAIFSHQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 100.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.43
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (CID 90491605) is (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is COc1ccc2cc(C(=O)N3CCN(c4ccc(-c5noc(C(F)(F)F)n5)cn4)CC3)[nH]c2c1.

What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is LWLPHBYZAIFSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-33-15-4-2-13-10-17(27-16(13)11-15)20(32)31-8-6-30(7-9-31)18-5-3-14(12-26-18)19-28-21(34-29-19)22(23,24)25/h2-5,10-12,27H,6-9H2,1H3.

What are the key properties of (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?

(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 472.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90491605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).