N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

C20H23F3N6O2S — CID 146452924

About N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 146452924) has the molecular formula C20H23F3N6O2S and a molecular weight of 468.51 g/mol. Its IUPAC name is N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
• PubChem CID: 146452924
• Molecular Formula: C20H23F3N6O2S
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.16
• IUPAC Name: N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
• SMILES: CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(Cc4nnc(C(C)C)o4)CC3)nc12
• InChI: InChI=1S/C20H23F3N6O2S/c1-11(2)19-27-26-15(31-19)9-28-4-6-29(7-5-28)14-8-13(20(21,22)23)17-16(25-14)12(10-32-17)18(30)24-3/h8,10-11H,4-7,9H2,1-3H3,(H,24,30)
• InChIKey: MJNZWRMZZKDZHR-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?

The IUPAC name of N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (CID 146452924) is N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(Cc4nnc(C(C)C)o4)CC3)nc12.

What is the InChIKey of N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?

The InChIKey is MJNZWRMZZKDZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O2S/c1-11(2)19-27-26-15(31-19)9-28-4-6-29(7-5-28)14-8-13(20(21,22)23)17-16(25-14)12(10-32-17)18(30)24-3/h8,10-11H,4-7,9H2,1-3H3,(H,24,30).

What are the key properties of N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?

N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146452924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).