4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

C19H22N4O2 — CID 24992926

IUPAC4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCOc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1
InChIInChI=1S/C19H22N4O2/c1-25-16-4-2-3-13(11-16)17-12-20-19-10-9-18(22-23(17)19)21-14-5-7-15(24)8-6-14/h2-4,9-12,14-15,24H,5-8H2,1H3,(H,21,22)
InChIKeyFVVGYANAWWHSJK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.12
Rot. Bonds4

About 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol

4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (PubChem CID 24992926) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
PubChem CID24992926
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
SMILESCOc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1
InChIInChI=1S/C19H22N4O2/c1-25-16-4-2-3-13(11-16)17-12-20-19-10-9-18(22-23(17)19)21-14-5-7-15(24)8-6-14/h2-4,9-12,14-15,24H,5-8H2,1H3,(H,21,22)
InChIKeyFVVGYANAWWHSJK-UHFFFAOYSA-N
XLogP3.12
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol (CID 24992926) is 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is COc1cccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)c1.
What is the InChIKey of 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is FVVGYANAWWHSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-25-16-4-2-3-13(11-16)17-12-20-19-10-9-18(22-23(17)19)21-14-5-7-15(24)8-6-14/h2-4,9-12,14-15,24H,5-8H2,1H3,(H,21,22).
What are the key properties of 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol?
4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 338.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 24992926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).