5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C17H16F2N6O2 — CID 157033011

About 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157033011) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
• PubChem CID: 157033011
• Molecular Formula: C17H16F2N6O2
• Molecular Weight: 374.35 g/mol
• Exact Mass: 374.13
• IUPAC Name: 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
• SMILES: O=c1[nH]cc(-c2cc(N3CC4(CC(C(F)F)C4)C3)c3nccn3n2)c(=O)[nH]1
• InChI: InChI=1S/C17H16F2N6O2/c18-13(19)9-4-17(5-9)7-24(8-17)12-3-11(23-25-2-1-20-14(12)25)10-6-21-16(27)22-15(10)26/h1-3,6,9,13H,4-5,7-8H2,(H2,21,22,26,27)
• InChIKey: ADXNWXJYPJLICK-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 99.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.35
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157033011) is 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(N3CC4(CC(C(F)F)C4)C3)c3nccn3n2)c(=O)[nH]1.

What is the InChIKey of 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

The InChIKey is ADXNWXJYPJLICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c18-13(19)9-4-17(5-9)7-24(8-17)12-3-11(23-25-2-1-20-14(12)25)10-6-21-16(27)22-15(10)26/h1-3,6,9,13H,4-5,7-8H2,(H2,21,22,26,27).

What are the key properties of 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?

5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 374.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157033011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).