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

C22H19F3N6O3 — CID 157032903

IUPAC6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(OCC(F)(F)F)cn3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C22H19F3N6O3/c1-32-20-16(10-28-21(29-20)33-2)18-8-15(19-26-5-6-31(19)30-18)13-7-14(13)17-4-3-12(9-27-17)34-11-22(23,24)25/h3-6,8-10,13-14H,7,11H2,1-2H3/t13-,14-/m0/s1
InChIKeyDRMDRHYTRLOLPA-KBPBESRZSA-N
MW472.43 g/mol
LogP3.81
Rot. Bonds7

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

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 157032903) has the molecular formula C22H19F3N6O3 and a molecular weight of 472.43 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID157032903
Molecular FormulaC22H19F3N6O3
Molecular Weight472.43 g/mol
Exact Mass472.15
IUPAC Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(OCC(F)(F)F)cn3)c3nccn3n2)c(OC)n1
InChIInChI=1S/C22H19F3N6O3/c1-32-20-16(10-28-21(29-20)33-2)18-8-15(19-26-5-6-31(19)30-18)13-7-14(13)17-4-3-12(9-27-17)34-11-22(23,24)25/h3-6,8-10,13-14H,7,11H2,1-2H3/t13-,14-/m0/s1
InChIKeyDRMDRHYTRLOLPA-KBPBESRZSA-N
XLogP3.81
TPSA96.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine (CID 157032903) is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine is COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(OCC(F)(F)F)cn3)c3nccn3n2)c(OC)n1.
What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is DRMDRHYTRLOLPA-KBPBESRZSA-N. The full InChI is InChI=1S/C22H19F3N6O3/c1-32-20-16(10-28-21(29-20)33-2)18-8-15(19-26-5-6-31(19)30-18)13-7-14(13)17-4-3-12(9-27-17)34-11-22(23,24)25/h3-6,8-10,13-14H,7,11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine?
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 472.43 g/mol, XLogP of 3.81, 7 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-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).