3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine

C18H22N6O — CID 44818212

IUPAC3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1cc(-c2c(C)nc3ccc(N4CCN[C@@H](C)C4)nn23)ccn1
InChIInChI=1S/C18H22N6O/c1-12-11-23(9-8-19-12)16-5-4-15-21-13(2)18(24(15)22-16)14-6-7-20-17(10-14)25-3/h4-7,10,12,19H,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyQORLWCNXHSASGR-LBPRGKRZSA-N
MW338.42 g/mol
LogP1.91
Rot. Bonds3

About 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine

3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 44818212) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID44818212
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCOc1cc(-c2c(C)nc3ccc(N4CCN[C@@H](C)C4)nn23)ccn1
InChIInChI=1S/C18H22N6O/c1-12-11-23(9-8-19-12)16-5-4-15-21-13(2)18(24(15)22-16)14-6-7-20-17(10-14)25-3/h4-7,10,12,19H,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyQORLWCNXHSASGR-LBPRGKRZSA-N
XLogP1.91
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine with MolForge

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Related Compounds

3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 75076659
2-(cyclopropylmethyl)-3-(2-ethyl-4-pyridinyl)-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 67218084
6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 90978764
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 68519598
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517521
2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
CID 25181723
6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide
CID 44819113
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
CID 163348421
4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 104976163
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine (CID 44818212) is 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine is COc1cc(-c2c(C)nc3ccc(N4CCN[C@@H](C)C4)nn23)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is QORLWCNXHSASGR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-11-23(9-8-19-12)16-5-4-15-21-13(2)18(24(15)22-16)14-6-7-20-17(10-14)25-3/h4-7,10,12,19H,8-9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine?
3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 338.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 44818212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).