8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C15H11F5N6O — CID 168861808

IUPAC8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cnc(OC2CN(c3ccnn4ccnc34)CC2(F)F)nc1
InChIInChI=1S/C15H11F5N6O/c16-14(17)8-25(10-1-2-24-26-4-3-21-12(10)26)7-11(14)27-13-22-5-9(6-23-13)15(18,19)20/h1-6,11H,7-8H2
InChIKeyVUMZPEIMLZSYLV-UHFFFAOYSA-N
MW386.28 g/mol
LogP2.44
Rot. Bonds3

About 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine

8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 168861808) has the molecular formula C15H11F5N6O and a molecular weight of 386.28 g/mol. Its IUPAC name is 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID168861808
Molecular FormulaC15H11F5N6O
Molecular Weight386.28 g/mol
Exact Mass386.09
IUPAC Name8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFC(F)(F)c1cnc(OC2CN(c3ccnn4ccnc34)CC2(F)F)nc1
InChIInChI=1S/C15H11F5N6O/c16-14(17)8-25(10-1-2-24-26-4-3-21-12(10)26)7-11(14)27-13-22-5-9(6-23-13)15(18,19)20/h1-6,11H,7-8H2
InChIKeyVUMZPEIMLZSYLV-UHFFFAOYSA-N
XLogP2.44
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[8-[(4R)-3,3-difluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368747
6-chloro-8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 157034388
8-[(3R)-3-(trifluoromethoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 167436313
8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034367
6-(2,4-dimethoxypyrimidin-5-yl)-8-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptan-5-yl]imidazo[1,2-b]pyridazine
CID 157033002
1-[8-[3,3-difluoro-4-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]pyrimidine-2,4-dione
CID 167436260
5-[8-[(4S)-3,3-difluoro-4-[4-methyl-3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032647
5-[8-[3,3-difluoro-4-(4-methylphenoxy)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033889
6-[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034001
6-[1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034403
2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 157032703
5-[8-[4-(2,2-difluoroethoxy)-3,3-difluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033928

Frequently Asked Questions

What is the IUPAC name of 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 168861808) is 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine is FC(F)(F)c1cnc(OC2CN(c3ccnn4ccnc34)CC2(F)F)nc1.
What is the InChIKey of 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is VUMZPEIMLZSYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N6O/c16-14(17)8-25(10-1-2-24-26-4-3-21-12(10)26)7-11(14)27-13-22-5-9(6-23-13)15(18,19)20/h1-6,11H,7-8H2.
What are the key properties of 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 386.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,3-difluoro-4-[5-(trifluoromethyl)pyrimidin-2-yl]oxypyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 168861808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).