trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate

C18H19N5O4 — CID 157034828

IUPACtrans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1cc(-c2cnc(OC)nc2OC)nn2ccnc12
InChIInChI=1S/C18H19N5O4/c1-4-27-17(24)12-7-10(12)11-8-14(22-23-6-5-19-15(11)23)13-9-20-18(26-3)21-16(13)25-2/h5-6,8-10,12H,4,7H2,1-3H3/t10-,12+/m1/s1
InChIKeyCLKUVAKVMHPVCI-PWSUYJOCSA-N
MW369.38 g/mol
LogP1.87
Rot. Bonds6

About trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate (PubChem CID 157034828) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate
PubChem CID157034828
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Nametrans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1cc(-c2cnc(OC)nc2OC)nn2ccnc12
InChIInChI=1S/C18H19N5O4/c1-4-27-17(24)12-7-10(12)11-8-14(22-23-6-5-19-15(11)23)13-9-20-18(26-3)21-16(13)25-2/h5-6,8-10,12H,4,7H2,1-3H3/t10-,12+/m1/s1
InChIKeyCLKUVAKVMHPVCI-PWSUYJOCSA-N
XLogP1.87
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 166827416
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]pyridine-3-carbonitrile
CID 157034029
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033180
4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
CID 157032355
8-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033991
6-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-4-(2,2,2-trifluoroethoxy)quinoline
CID 157033656
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-1-(2,2,2-trifluoroethyl)quinolin-2-one
CID 157034538
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
8-(3-cyclopropylazetidin-1-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033726
7-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-5-(trifluoromethyl)quinoline
CID 157032197

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate (CID 157034828) is trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1c1cc(-c2cnc(OC)nc2OC)nn2ccnc12.
What is the InChIKey of trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate?
The InChIKey is CLKUVAKVMHPVCI-PWSUYJOCSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-4-27-17(24)12-7-10(12)11-8-14(22-23-6-5-19-15(11)23)13-9-20-18(26-3)21-16(13)25-2/h5-6,8-10,12H,4,7H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 157034828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).