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

C22H16F2N8O2 — CID 176863069

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

[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 176863069) has the molecular formula C22H16F2N8O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 176863069
• Molecular Formula: C22H16F2N8O2
• Molecular Weight: 462.42 g/mol
• Exact Mass: 462.14
• IUPAC Name: [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: O=C(c1nnc(-c2ccn(C(F)F)n2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
• InChI: InChI=1S/C22H16F2N8O2/c23-22(24)32-8-6-15(30-32)19-28-29-20(34-19)21(33)31-7-5-14-17(27-11-26-14)18(31)16-9-12-3-1-2-4-13(12)10-25-16/h1-4,6,8-11,18,22H,5,7H2,(H,26,27)/t18-/m1/s1
• InChIKey: GNTPGHLGKPFTDL-GOSISDBHSA-N
• XLogP: 3.39
• TPSA: 118.62 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	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 176863069) is [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

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

The canonical SMILES for [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1nnc(-c2ccn(C(F)F)n2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1.

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

The InChIKey is GNTPGHLGKPFTDL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H16F2N8O2/c23-22(24)32-8-6-15(30-32)19-28-29-20(34-19)21(33)31-7-5-14-17(27-11-26-14)18(31)16-9-12-3-1-2-4-13(12)10-25-16/h1-4,6,8-11,18,22H,5,7H2,(H,26,27)/t18-/m1/s1.

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

[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 462.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 176863069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).