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

C20H16BrN9O2 — CID 169165266

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

[(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169165266) has the molecular formula C20H16BrN9O2 and a molecular weight of 494.31 g/mol. Its IUPAC name is [(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

• Compound Name: [(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
• PubChem CID: 169165266
• Molecular Formula: C20H16BrN9O2
• Molecular Weight: 494.31 g/mol
• Exact Mass: 493.06
• IUPAC Name: [(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
• SMILES: Cn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3cc4c(Br)cccn4n3)o2)cn1
• InChI: InChI=1S/C20H16BrN9O2/c1-28-9-11(8-24-28)18-25-26-19(32-18)20(31)29-6-4-13-16(23-10-22-13)17(29)14-7-15-12(21)3-2-5-30(15)27-14/h2-3,5,7-10,17H,4,6H2,1H3,(H,22,23)/t17-/m0/s1
• InChIKey: QIDOCGAUWJXIMV-KRWDZBQOSA-N
• XLogP: 2.39
• TPSA: 123.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.31
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 169165266) is [(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone.

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

The canonical SMILES for [(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is Cn1cc(-c2nnc(C(=O)N3CCc4[nH]cnc4[C@@H]3c3cc4c(Br)cccn4n3)o2)cn1.

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

The InChIKey is QIDOCGAUWJXIMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16BrN9O2/c1-28-9-11(8-24-28)18-25-26-19(32-18)20(31)29-6-4-13-16(23-10-22-13)17(29)14-7-15-12(21)3-2-5-30(15)27-14/h2-3,5,7-10,17H,4,6H2,1H3,(H,22,23)/t17-/m0/s1.

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

[(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 494.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169165266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).