(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H20F3N7O3 — CID 170332924

About (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332924) has the molecular formula C21H20F3N7O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 170332924
• Molecular Formula: C21H20F3N7O3
• Molecular Weight: 475.43 g/mol
• Exact Mass: 475.16
• IUPAC Name: (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: CC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3C2c2cc3c(OC(F)(F)F)cccn3n2)o1
• InChI: InChI=1S/C21H20F3N7O3/c1-20(2,3)19-28-27-17(33-19)18(32)30-8-6-11-15(26-10-25-11)16(30)12-9-13-14(34-21(22,23)24)5-4-7-31(13)29-12/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,25,26)
• InChIKey: ZLKVRFILYVKTBQ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 114.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.43
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332924) is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3C2c2cc3c(OC(F)(F)F)cccn3n2)o1.

What is the InChIKey of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is ZLKVRFILYVKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O3/c1-20(2,3)19-28-27-17(33-19)18(32)30-8-6-11-15(26-10-25-11)16(30)12-9-13-14(34-21(22,23)24)5-4-7-31(13)29-12/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,25,26).

What are the key properties of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 475.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethoxy)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170332924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).