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

C22H16F2N8O2 — CID 170333338

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

[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 170333338) has the molecular formula C22H16F2N8O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is [4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
• PubChem CID: 170333338
• Molecular Formula: C22H16F2N8O2
• Molecular Weight: 462.42 g/mol
• Exact Mass: 462.14
• IUPAC Name: [4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
• SMILES: O=C(c1nnc(-c2cccnc2)o1)N1CCc2[nH]cnc2C1c1cc2cccc(C(F)F)n2n1
• InChI: InChI=1S/C22H16F2N8O2/c23-19(24)16-5-1-4-13-9-15(30-32(13)16)18-17-14(26-11-27-17)6-8-31(18)22(33)21-29-28-20(34-21)12-3-2-7-25-10-12/h1-5,7,9-11,18-19H,6,8H2,(H,26,27)
• InChIKey: YQEANMHXLGTRKA-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 118.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.42
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone (CID 170333338) is [4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone.

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

The canonical SMILES for [4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2cccnc2)o1)N1CCc2[nH]cnc2C1c1cc2cccc(C(F)F)n2n1.

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

The InChIKey is YQEANMHXLGTRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N8O2/c23-19(24)16-5-1-4-13-9-15(30-32(13)16)18-17-14(26-11-27-17)6-8-31(18)22(33)21-29-28-20(34-21)12-3-2-7-25-10-12/h1-5,7,9-11,18-19H,6,8H2,(H,26,27).

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

[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 462.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 170333338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).