5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide

C20H18ClN7O4 — CID 139486602

About 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide

5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide (PubChem CID 139486602) has the molecular formula C20H18ClN7O4 and a molecular weight of 455.86 g/mol. Its IUPAC name is 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide.

Molecular Properties

• Compound Name: 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide
• PubChem CID: 139486602
• Molecular Formula: C20H18ClN7O4
• Molecular Weight: 455.86 g/mol
• Exact Mass: 455.11
• IUPAC Name: 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide
• SMILES: Cn1cnc2c(C(N)=O)nn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21
• InChI: InChI=1S/C20H18ClN7O4/c1-27-9-23-15-16(18(22)29)25-28(20(30)17(15)27)7-14-24-19(26-32-14)11-6-13(31-8-11)10-2-4-12(21)5-3-10/h2-5,9,11,13H,6-8H2,1H3,(H2,22,29)/t11-,13+/m0/s1
• InChIKey: LZRMYUSAULVNHO-WCQYABFASA-N
• XLogP: 1.56
• TPSA: 143.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.86
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide?

The IUPAC name of 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide (CID 139486602) is 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide.

What is the SMILES notation for 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide?

The canonical SMILES for 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide is Cn1cnc2c(C(N)=O)nn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21.

What is the InChIKey of 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide?

The InChIKey is LZRMYUSAULVNHO-WCQYABFASA-N. The full InChI is InChI=1S/C20H18ClN7O4/c1-27-9-23-15-16(18(22)29)25-28(20(30)17(15)27)7-14-24-19(26-32-14)11-6-13(31-8-11)10-2-4-12(21)5-3-10/h2-5,9,11,13H,6-8H2,1H3,(H2,22,29)/t11-,13+/m0/s1.

What are the key properties of 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide?

5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide has a molecular weight of 455.86 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-4-oxoimidazo[4,5-d]pyridazine-7-carboxamide is sourced from PubChem (CID 139486602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).