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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CC4(CC(C(F)F)C4)C3)c3nccn3n2)c(=O)[nH]1
InChIInChI=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)
InChIKeyADXNWXJYPJLICK-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.25
Rot. Bonds3

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 Name5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157033011
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC Name5-[8-[6-(difluoromethyl)-2-azaspiro[3.3]heptan-2-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CC4(CC(C(F)F)C4)C3)c3nccn3n2)c(=O)[nH]1
InChIInChI=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)
InChIKeyADXNWXJYPJLICK-UHFFFAOYSA-N
XLogP1.25
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).

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