8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine

C18H19F2N5O2 — CID 163216830

IUPAC8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine
SMILESCCc1cn2nc(-c3cnc(OC)nc3OC)cc([C@H]3C[C@@H]3C(F)F)c2n1
InChIInChI=1S/C18H19F2N5O2/c1-4-9-8-25-16(22-9)12(10-5-11(10)15(19)20)6-14(24-25)13-7-21-18(27-3)23-17(13)26-2/h6-8,10-11,15H,4-5H2,1-3H3/t10-,11-/m0/s1
InChIKeyXXYISSVUCGGGAQ-QWRGUYRKSA-N
MW375.38 g/mol
LogP3.13
Rot. Bonds6

About 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine

8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine (PubChem CID 163216830) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine
PubChem CID163216830
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine
SMILESCCc1cn2nc(-c3cnc(OC)nc3OC)cc([C@H]3C[C@@H]3C(F)F)c2n1
InChIInChI=1S/C18H19F2N5O2/c1-4-9-8-25-16(22-9)12(10-5-11(10)15(19)20)6-14(24-25)13-7-21-18(27-3)23-17(13)26-2/h6-8,10-11,15H,4-5H2,1-3H3/t10-,11-/m0/s1
InChIKeyXXYISSVUCGGGAQ-QWRGUYRKSA-N
XLogP3.13
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-but-1-ynyl-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 163289230
8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033991
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[1-(trifluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034073
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034385
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675
4-[4-[(2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-3-yl]-2-methylbut-3-yn-2-ol
CID 167062214
3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
CID 163289431
trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate
CID 157034828
2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
CID 167110237
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033180
2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine
CID 163394429

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine (CID 163216830) is 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine is CCc1cn2nc(-c3cnc(OC)nc3OC)cc([C@H]3C[C@@H]3C(F)F)c2n1.
What is the InChIKey of 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine?
The InChIKey is XXYISSVUCGGGAQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-4-9-8-25-16(22-9)12(10-5-11(10)15(19)20)6-14(24-25)13-7-21-18(27-3)23-17(13)26-2/h6-8,10-11,15H,4-5H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine?
8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine has a molecular weight of 375.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 163216830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).