methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate

C17H18N4O2 — CID 126475878

IUPACmethyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
SMILESCCCNc1ccc2ncc(-c3ccc(C(=O)OC)cc3)n2n1
InChIInChI=1S/C17H18N4O2/c1-3-10-18-15-8-9-16-19-11-14(21(16)20-15)12-4-6-13(7-5-12)17(22)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyOGZJXKMSCKJKIA-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.00
Rot. Bonds5

About methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate

methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate (PubChem CID 126475878) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
PubChem CID126475878
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Namemethyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
SMILESCCCNc1ccc2ncc(-c3ccc(C(=O)OC)cc3)n2n1
InChIInChI=1S/C17H18N4O2/c1-3-10-18-15-8-9-16-19-11-14(21(16)20-15)12-4-6-13(7-5-12)17(22)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyOGZJXKMSCKJKIA-UHFFFAOYSA-N
XLogP3.00
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 126471896
3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine
CID 118703524
N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453652
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
N-butyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid
CID 161267175
3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine
CID 86696356
N-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-4-[6-(2-methylsulfanylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25254074
3-[3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]prop-2-enoic acid
CID 66889633
N-methoxy-4-methyl-3-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]benzamide
CID 87469853
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate?
The IUPAC name of methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate (CID 126475878) is methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate?
The canonical SMILES for methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate is CCCNc1ccc2ncc(-c3ccc(C(=O)OC)cc3)n2n1.
What is the InChIKey of methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate?
The InChIKey is OGZJXKMSCKJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-10-18-15-8-9-16-19-11-14(21(16)20-15)12-4-6-13(7-5-12)17(22)23-2/h4-9,11H,3,10H2,1-2H3,(H,18,20).
What are the key properties of methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate?
methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate has a molecular weight of 310.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate is sourced from PubChem (CID 126475878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).