2-(4-fluorophenyl)-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

C22H15F4N7O — CID 170332884

About 2-(4-fluorophenyl)-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-(4-fluorophenyl)-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 170332884) has the molecular formula C22H15F4N7O and a molecular weight of 469.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-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-(4-fluorophenyl)-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: 170332884
• Molecular Formula: C22H15F4N7O
• Molecular Weight: 469.40 g/mol
• Exact Mass: 469.13
• IUPAC Name: 2-(4-fluorophenyl)-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: Fc1ccc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)(F)F)cccn4n3)o2)cc1
• InChI: InChI=1S/C22H15F4N7O/c23-13-5-3-12(4-6-13)20-29-30-21(34-20)32-9-7-15-18(28-11-27-15)19(32)16-10-17-14(22(24,25)26)2-1-8-33(17)31-16/h1-6,8,10-11,19H,7,9H2,(H,27,28)/t19-/m1/s1
• InChIKey: FHKDTWJSOYPJOC-LJQANCHMSA-N
• XLogP: 4.42
• TPSA: 88.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.40
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-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-(4-fluorophenyl)-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 170332884) is 2-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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 Fc1ccc(-c2nnc(N3CCc4[nH]cnc4[C@H]3c3cc4c(C(F)(F)F)cccn4n3)o2)cc1.

What is the InChIKey of 2-(4-fluorophenyl)-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 FHKDTWJSOYPJOC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H15F4N7O/c23-13-5-3-12(4-6-13)20-29-30-21(34-20)32-9-7-15-18(28-11-27-15)19(32)16-10-17-14(22(24,25)26)2-1-8-33(17)31-16/h1-6,8,10-11,19H,7,9H2,(H,27,28)/t19-/m1/s1.

What are the key properties of 2-(4-fluorophenyl)-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-(4-fluorophenyl)-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 469.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-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 170332884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).