methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate

C21H24N4O3 — CID 68893950

IUPACmethyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2cnc3ccc(OC(C)C4CCCNC4)nn23)c1
InChIInChI=1S/C21H24N4O3/c1-14(17-7-4-10-22-12-17)28-20-9-8-19-23-13-18(25(19)24-20)15-5-3-6-16(11-15)21(26)27-2/h3,5-6,8-9,11,13-14,17,22H,4,7,10,12H2,1-2H3
InChIKeyGSOBFNADFONDAI-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.95
Rot. Bonds5

About methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate

methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate (PubChem CID 68893950) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate
PubChem CID68893950
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Namemethyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate
SMILESCOC(=O)c1cccc(-c2cnc3ccc(OC(C)C4CCCNC4)nn23)c1
InChIInChI=1S/C21H24N4O3/c1-14(17-7-4-10-22-12-17)28-20-9-8-19-23-13-18(25(19)24-20)15-5-3-6-16(11-15)21(26)27-2/h3,5-6,8-9,11,13-14,17,22H,4,7,10,12H2,1-2H3
InChIKeyGSOBFNADFONDAI-UHFFFAOYSA-N
XLogP2.95
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate with MolForge

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Related Compounds

3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
methyl 6-(piperidin-3-ylamino)pyridine-2-carboxylate
CID 83841956
methyl 3-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 89493929
methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
CID 117028837
methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
CID 82556512
N-[(3R)-piperidin-3-yl]-6-(6-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)pyridin-2-amine
CID 164561154
3-(2-methoxy-3-pyridinyl)-N-[(3R)-piperidin-3-yl]imidazo[1,2-b]pyridazin-6-amine
CID 67959033
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
methyl 3-[(2S)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073000

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate?
The IUPAC name of methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate (CID 68893950) is methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate.
What is the SMILES notation for methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate?
The canonical SMILES for methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate is COC(=O)c1cccc(-c2cnc3ccc(OC(C)C4CCCNC4)nn23)c1.
What is the InChIKey of methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate?
The InChIKey is GSOBFNADFONDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(17-7-4-10-22-12-17)28-20-9-8-19-23-13-18(25(19)24-20)15-5-3-6-16(11-15)21(26)27-2/h3,5-6,8-9,11,13-14,17,22H,4,7,10,12H2,1-2H3.
What are the key properties of methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate?
methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate has a molecular weight of 380.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(1-piperidin-3-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]benzoate is sourced from PubChem (CID 68893950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).