[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

C23H17Cl2F2N7O2S — CID 170755846

About [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 170755846) has the molecular formula C23H17Cl2F2N7O2S and a molecular weight of 564.41 g/mol. Its IUPAC name is [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
• PubChem CID: 170755846
• Molecular Formula: C23H17Cl2F2N7O2S
• Molecular Weight: 564.41 g/mol
• Exact Mass: 563.05
• IUPAC Name: [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
• SMILES: O=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(c1cccnn1)C2
• InChI: InChI=1S/C23H17Cl2F2N7O2S/c24-15-4-3-13(6-16(15)25)23(26,27)21-32-31-19(36-21)14-8-33(20(35)17-7-28-12-37-17)9-22(14)10-34(11-22)18-2-1-5-29-30-18/h1-7,12,14H,8-11H2
• InChIKey: UXKFQKRQWSGHJI-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 101.14 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.41
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The IUPAC name of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (CID 170755846) is [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The canonical SMILES for [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(c1cccnn1)C2.

What is the InChIKey of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The InChIKey is UXKFQKRQWSGHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F2N7O2S/c24-15-4-3-13(6-16(15)25)23(26,27)21-32-31-19(36-21)14-8-33(20(35)17-7-28-12-37-17)9-22(14)10-34(11-22)18-2-1-5-29-30-18/h1-7,12,14H,8-11H2.

What are the key properties of [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 564.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-pyridazin-3-yl-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 170755846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).