3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine

C21H24N6O — CID 118703524

IUPAC3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCNc1ccc2ncc(-c3ccc4c(cnn4C4CCCCO4)c3)n2n1
InChIInChI=1S/C21H24N6O/c1-2-10-22-19-8-9-20-23-14-18(26(20)25-19)15-6-7-17-16(12-15)13-24-27(17)21-5-3-4-11-28-21/h6-9,12-14,21H,2-5,10-11H2,1H3,(H,22,25)
InChIKeyDEWAZFATOBSVFH-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.27
Rot. Bonds5

About 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine

3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 118703524) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine
PubChem CID118703524
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCNc1ccc2ncc(-c3ccc4c(cnn4C4CCCCO4)c3)n2n1
InChIInChI=1S/C21H24N6O/c1-2-10-22-19-8-9-20-23-14-18(26(20)25-19)15-6-7-17-16(12-15)13-24-27(17)21-5-3-4-11-28-21/h6-9,12-14,21H,2-5,10-11H2,1H3,(H,22,25)
InChIKeyDEWAZFATOBSVFH-UHFFFAOYSA-N
XLogP4.27
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 126475878
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
1-(oxan-2-yl)-5-pent-1-ynylindazole
CID 66793301
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
N-(3-morpholin-4-ylpropyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 66890283
methyl 4-[[3-[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-6-yl]amino]bicyclo[2.2.2]octane-1-carboxylate
CID 167450476
1-[(2S)-oxan-2-yl]indazole
CID 124562379

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine (CID 118703524) is 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine is CCCNc1ccc2ncc(-c3ccc4c(cnn4C4CCCCO4)c3)n2n1.
What is the InChIKey of 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DEWAZFATOBSVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-10-22-19-8-9-20-23-14-18(26(20)25-19)15-6-7-17-16(12-15)13-24-27(17)21-5-3-4-11-28-21/h6-9,12-14,21H,2-5,10-11H2,1H3,(H,22,25).
What are the key properties of 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine?
3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 376.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 118703524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).