8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

C18H20N6O2 — CID 157032704

IUPAC8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc(N3C[C@H]4CC[C@@H]3C4)c3nccn3n2)c(OC)n1
InChIInChI=1S/C18H20N6O2/c1-25-17-13(9-20-18(21-17)26-2)14-8-15(16-19-5-6-24(16)22-14)23-10-11-3-4-12(23)7-11/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyOEAOSTZEKSZNKF-NWDGAFQWSA-N
MW352.40 g/mol
LogP2.19
Rot. Bonds4

About 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine

8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (PubChem CID 157032704) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
PubChem CID157032704
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc(N3C[C@H]4CC[C@@H]3C4)c3nccn3n2)c(OC)n1
InChIInChI=1S/C18H20N6O2/c1-25-17-13(9-20-18(21-17)26-2)14-8-15(16-19-5-6-24(16)22-14)23-10-11-3-4-12(23)7-11/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyOEAOSTZEKSZNKF-NWDGAFQWSA-N
XLogP2.19
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-(2-azabicyclo[2.2.2]octan-2-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033540
8-(3-cyclopropylazetidin-1-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033726
8-(3-cyclobutylazetidin-1-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033692
6-(2,4-dimethoxypyrimidin-5-yl)-8-(1-fluoro-3-azabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-b]pyridazine
CID 157032817
6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 157034854
8-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 167340310
8-(2,2-difluoro-6-azaspiro[3.4]octan-6-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033394
8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine
CID 157034233
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
4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
CID 157032355
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-(3-fluoro-4-pyridinyl)cyclopropyl]imidazo[1,2-b]pyridazine
CID 157034385

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine (CID 157032704) is 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is COc1ncc(-c2cc(N3C[C@H]4CC[C@@H]3C4)c3nccn3n2)c(OC)n1.
What is the InChIKey of 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
The InChIKey is OEAOSTZEKSZNKF-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-25-17-13(9-20-18(21-17)26-2)14-8-15(16-19-5-6-24(16)22-14)23-10-11-3-4-12(23)7-11/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine?
8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine has a molecular weight of 352.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157032704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).