6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine

C20H16F3N7O2 — CID 157034725

IUPAC6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccnc(C(F)(F)F)n3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C20H16F3N7O2/c1-31-17-13(9-26-19(28-17)32-2)15-8-12(16-24-5-6-30(16)29-15)10-7-11(10)14-3-4-25-18(27-14)20(21,22)23/h3-6,8-11H,7H2,1-2H3/t10-,11-/m0/s1
InChIKeyDQEJVWUTERMKQS-QWRGUYRKSA-N
MW443.39 g/mol
LogP3.28
Rot. Bonds5

About 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157034725) has the molecular formula C20H16F3N7O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157034725
Molecular FormulaC20H16F3N7O2
Molecular Weight443.39 g/mol
Exact Mass443.13
IUPAC Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccnc(C(F)(F)F)n3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C20H16F3N7O2/c1-31-17-13(9-26-19(28-17)32-2)15-8-12(16-24-5-6-30(16)29-15)10-7-11(10)14-3-4-25-18(27-14)20(21,22)23/h3-6,8-11H,7H2,1-2H3/t10-,11-/m0/s1
InChIKeyDQEJVWUTERMKQS-QWRGUYRKSA-N
XLogP3.28
TPSA100.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Ksq-4279
CID 150782011
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
Pyrazolo[1,5-a]-1,3,5-triazine, 13-12
CID 42618218
Lmtk3-IN-1
CID 138454301
3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-7-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406910
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
6-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 42635876
3-(Cyclopropylmethyl)-7-[3-fluoro-4-(2-methylpyridin-4-yl)oxyphenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 49801368
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
3-(Cyclopropylmethyl)-7-[4-(2,6-dimethylpyridin-4-yl)oxy-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 68109605
4-(2-Methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767048
1-Methyl-6-(pyridin-2-ylmethoxy)-3-[4-(trifluoromethyl)pyridin-3-yl]pyrazolo[3,4-b]pyrazine
CID 76328952

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157034725) is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine is COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccnc(C(F)(F)F)n3)c3nccn3n2)c(OC)n1.
What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is DQEJVWUTERMKQS-QWRGUYRKSA-N. The full InChI is InChI=1S/C20H16F3N7O2/c1-31-17-13(9-26-19(28-17)32-2)15-8-12(16-24-5-6-30(16)29-15)10-7-11(10)14-3-4-25-18(27-14)20(21,22)23/h3-6,8-11H,7H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 443.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[2-(trifluoromethyl)pyrimidin-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).