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

C21H14F3N9O2 — CID 170332117

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

(5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332117) has the molecular formula C21H14F3N9O2 and a molecular weight of 481.40 g/mol. Its IUPAC name is (5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 170332117
• Molecular Formula: C21H14F3N9O2
• Molecular Weight: 481.40 g/mol
• Exact Mass: 481.12
• IUPAC Name: (5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: O=C(c1nnc(-c2ncccn2)o1)N1CCc2[nH]cnc2[C@@H]1c1cc2c(C(F)(F)F)cccn2n1
• InChI: InChI=1S/C21H14F3N9O2/c22-21(23,24)11-3-1-7-33-14(11)9-13(31-33)16-15-12(27-10-28-15)4-8-32(16)20(34)19-30-29-18(35-19)17-25-5-2-6-26-17/h1-3,5-7,9-10,16H,4,8H2,(H,27,28)/t16-/m0/s1
• InChIKey: TWCGEOAOZQGLGM-INIZCTEOSA-N
• XLogP: 2.70
• TPSA: 130.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.40
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332117) is (5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

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

The canonical SMILES for (5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1nnc(-c2ncccn2)o1)N1CCc2[nH]cnc2[C@@H]1c1cc2c(C(F)(F)F)cccn2n1.

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

The InChIKey is TWCGEOAOZQGLGM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H14F3N9O2/c22-21(23,24)11-3-1-7-33-14(11)9-13(31-33)16-15-12(27-10-28-15)4-8-32(16)20(34)19-30-29-18(35-19)17-25-5-2-6-26-17/h1-3,5-7,9-10,16H,4,8H2,(H,27,28)/t16-/m0/s1.

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

(5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 481.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5-pyrimidin-2-yl-1,3,4-oxadiazol-2-yl)-[(4R)-4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170332117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).