6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C23H24N6O3 — CID 157034854

IUPAC6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc(C2CCN(c3cc(-c4cnc(OC)nc4OC)nn4ccnc34)C2)cc1
InChIInChI=1S/C23H24N6O3/c1-30-17-6-4-15(5-7-17)16-8-10-28(14-16)20-12-19(27-29-11-9-24-21(20)29)18-13-25-23(32-3)26-22(18)31-2/h4-7,9,11-13,16H,8,10,14H2,1-3H3
InChIKeyVMTCJJYLVLQPKL-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.21
Rot. Bonds6

About 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 157034854) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID157034854
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1ccc(C2CCN(c3cc(-c4cnc(OC)nc4OC)nn4ccnc34)C2)cc1
InChIInChI=1S/C23H24N6O3/c1-30-17-6-4-15(5-7-17)16-8-10-28(14-16)20-12-19(27-29-11-9-24-21(20)29)18-13-25-23(32-3)26-22(18)31-2/h4-7,9,11-13,16H,8,10,14H2,1-3H3
InChIKeyVMTCJJYLVLQPKL-UHFFFAOYSA-N
XLogP3.21
TPSA86.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
8-(2-azabicyclo[2.2.2]octan-2-yl)-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033540
6-(2,4-dimethoxypyrimidin-5-yl)-8-(1-fluoro-3-azabicyclo[3.1.1]heptan-3-yl)imidazo[1,2-b]pyridazine
CID 157032817
8-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157032704
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-[(1S,2S)-2-[4-(2,2-difluoroethoxy)phenyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157033991
8-[(4S)-3,3-difluoro-4-[1-(2,2,2-trifluoroethyl)indazol-6-yl]oxypyrrolidin-1-yl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034367
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-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptan-5-yl]imidazo[1,2-b]pyridazine
CID 157033002
8-[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157034675

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 157034854) is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is COc1ccc(C2CCN(c3cc(-c4cnc(OC)nc4OC)nn4ccnc34)C2)cc1.
What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is VMTCJJYLVLQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-30-17-6-4-15(5-7-17)16-8-10-28(14-16)20-12-19(27-29-11-9-24-21(20)29)18-13-25-23(32-3)26-22(18)31-2/h4-7,9,11-13,16H,8,10,14H2,1-3H3.
What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
6-(2,4-dimethoxypyrimidin-5-yl)-8-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 432.48 g/mol, XLogP of 3.21, 6 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-[3-(4-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157034854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).