2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine

C17H14F4N4O2 — CID 163394429

IUPAC2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc(C3CC3C(F)(F)F)c3c(F)ccn3n2)c(OC)n1
InChIInChI=1S/C17H14F4N4O2/c1-26-15-10(7-22-16(23-15)27-2)13-6-9(8-5-11(8)17(19,20)21)14-12(18)3-4-25(14)24-13/h3-4,6-8,11H,5H2,1-2H3
InChIKeyWDDIVIHXNOJGOY-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.61
Rot. Bonds4

About 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine

2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine (PubChem CID 163394429) has the molecular formula C17H14F4N4O2 and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine
PubChem CID163394429
Molecular FormulaC17H14F4N4O2
Molecular Weight382.32 g/mol
Exact Mass382.11
IUPAC Name2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc(C3CC3C(F)(F)F)c3c(F)ccn3n2)c(OC)n1
InChIInChI=1S/C17H14F4N4O2/c1-26-15-10(7-22-16(23-15)27-2)13-6-9(8-5-11(8)17(19,20)21)14-12(18)3-4-25(14)24-13/h3-4,6-8,11H,5H2,1-2H3
InChIKeyWDDIVIHXNOJGOY-UHFFFAOYSA-N
XLogP3.61
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034385
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033180
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-5-(trifluoromethyl)quinoline
CID 157032197
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[1-(trifluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034073
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2-(2,2,2-trifluoroethoxy)quinoline
CID 157034213
8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene
CID 157032652
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1R,2R)-2-[3-fluoro-1-(2,2,2-trifluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034619
8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033991
4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
CID 157032355
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-3-carbonitrile
CID 157034029

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine?
The IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine (CID 163394429) is 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine?
The canonical SMILES for 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine is COc1ncc(-c2cc(C3CC3C(F)(F)F)c3c(F)ccn3n2)c(OC)n1.
What is the InChIKey of 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine?
The InChIKey is WDDIVIHXNOJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2/c1-26-15-10(7-22-16(23-15)27-2)13-6-9(8-5-11(8)17(19,20)21)14-12(18)3-4-25(14)24-13/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine?
2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine has a molecular weight of 382.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 163394429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).