2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

C22H17F3N8O2 — CID 176928815

About 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (PubChem CID 176928815) has the molecular formula C22H17F3N8O2 and a molecular weight of 482.43 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
• PubChem CID: 176928815
• Molecular Formula: C22H17F3N8O2
• Molecular Weight: 482.43 g/mol
• Exact Mass: 482.14
• IUPAC Name: 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
• SMILES: COc1ccc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)(F)F)cccn4n3)o2)cn1
• InChI: InChI=1S/C22H17F3N8O2/c1-34-17-5-4-12(10-26-17)20-29-30-21(35-20)32-8-6-14-18(28-11-27-14)19(32)15-9-16-13(22(23,24)25)3-2-7-33(16)31-15/h2-5,7,9-11,19H,6,8H2,1H3,(H,27,28)/t19-/m1/s1
• InChIKey: BFUCZFAIGFIUOY-LJQANCHMSA-N
• XLogP: 3.68
• TPSA: 110.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (CID 176928815) is 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)(F)F)cccn4n3)o2)cn1.

What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The InChIKey is BFUCZFAIGFIUOY-LJQANCHMSA-N. The full InChI is InChI=1S/C22H17F3N8O2/c1-34-17-5-4-12(10-26-17)20-29-30-21(35-20)32-8-6-14-18(28-11-27-14)19(32)15-9-16-13(22(23,24)25)3-2-7-33(16)31-15/h2-5,7,9-11,19H,6,8H2,1H3,(H,27,28)/t19-/m1/s1.

What are the key properties of 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole has a molecular weight of 482.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-3-pyridinyl)-5-[(4S)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 176928815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).