4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

C17H18N4O2 — CID 135923073

IUPAC4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C17H18N4O2/c22-14-3-1-12(2-4-14)15-11-18-17-6-5-16(20-21(15)17)19-13-7-9-23-10-8-13/h1-6,11,13,22H,7-10H2,(H,19,20)
InChIKeyDFYXVCWJEDZGPJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.69
Rot. Bonds3

About 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 135923073) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID135923073
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESOc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C17H18N4O2/c22-14-3-1-12(2-4-14)15-11-18-17-6-5-16(20-21(15)17)19-13-7-9-23-10-8-13/h1-6,11,13,22H,7-10H2,(H,19,20)
InChIKeyDFYXVCWJEDZGPJ-UHFFFAOYSA-N
XLogP2.69
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one
CID 140905496
3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 166806973
3-(4-methoxy-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66889666
N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25104047
5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine
CID 134158090
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 167228039
N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 66549109
methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate
CID 131739759
N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
CID 166793743
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
4-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 176715164

Frequently Asked Questions

What is the IUPAC name of 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 135923073) is 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is Oc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1.
What is the InChIKey of 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is DFYXVCWJEDZGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-14-3-1-12(2-4-14)15-11-18-17-6-5-16(20-21(15)17)19-13-7-9-23-10-8-13/h1-6,11,13,22H,7-10H2,(H,19,20).
What are the key properties of 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 310.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 135923073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).