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

C20H20ClN7O2 — CID 170332739

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

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170332739) has the molecular formula C20H20ClN7O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 170332739
• Molecular Formula: C20H20ClN7O2
• Molecular Weight: 425.88 g/mol
• Exact Mass: 425.14
• IUPAC Name: (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: CC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3C2c2cc3c(Cl)cccn3n2)o1
• InChI: InChI=1S/C20H20ClN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-6-12-15(23-10-22-12)16(27)13-9-14-11(21)5-4-7-28(14)26-13/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,22,23)
• InChIKey: MKJVUESLXAGZQU-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 105.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.88
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170332739) is (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[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-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(C)(C)c1nnc(C(=O)N2CCc3[nH]cnc3C2c2cc3c(Cl)cccn3n2)o1.

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

The InChIKey is MKJVUESLXAGZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O2/c1-20(2,3)19-25-24-17(30-19)18(29)27-8-6-12-15(23-10-22-12)16(27)13-9-14-11(21)5-4-7-28(14)26-13/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,22,23).

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

(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 425.88 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-tert-butyl-1,3,4-oxadiazol-2-yl)-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170332739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).