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

C21H13F6N9O2 — CID 170333292

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

[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 170333292) has the molecular formula C21H13F6N9O2 and a molecular weight of 537.38 g/mol. Its IUPAC name is [4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
• PubChem CID: 170333292
• Molecular Formula: C21H13F6N9O2
• Molecular Weight: 537.38 g/mol
• Exact Mass: 537.11
• IUPAC Name: [4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
• SMILES: O=C(c1nnc(-c2ccn(C(F)(F)F)n2)o1)N1CCc2[nH]cnc2C1c1cc2cccc(C(F)(F)F)n2n1
• InChI: InChI=1S/C21H13F6N9O2/c22-20(23,24)14-3-1-2-10-8-13(33-36(10)14)16-15-11(28-9-29-15)4-6-34(16)19(37)18-31-30-17(38-18)12-5-7-35(32-12)21(25,26)27/h1-3,5,7-9,16H,4,6H2,(H,28,29)
• InChIKey: XCRNYDHEGLUODJ-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 123.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.38
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone (CID 170333292) is [4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone.

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

The canonical SMILES for [4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2ccn(C(F)(F)F)n2)o1)N1CCc2[nH]cnc2C1c1cc2cccc(C(F)(F)F)n2n1.

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

The InChIKey is XCRNYDHEGLUODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N9O2/c22-20(23,24)14-3-1-2-10-8-13(33-36(10)14)16-15-11(28-9-29-15)4-6-34(16)19(37)18-31-30-17(38-18)12-5-7-35(32-12)21(25,26)27/h1-3,5,7-9,16H,4,6H2,(H,28,29).

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

[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 537.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 170333292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).