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

C14H18N6O — CID 58857692

IUPAC2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C14H18N6O/c1-3-11(9-21)17-13-4-5-14-15-7-12(20(14)18-13)10-6-16-19(2)8-10/h4-8,11,21H,3,9H2,1-2H3,(H,17,18)
InChIKeyPPVVQDBJUSBWHW-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.31
Rot. Bonds5

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

2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 58857692) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID58857692
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3cnn(C)c3)n2n1
InChIInChI=1S/C14H18N6O/c1-3-11(9-21)17-13-4-5-14-15-7-12(20(14)18-13)10-6-16-19(2)8-10/h4-8,11,21H,3,9H2,1-2H3,(H,17,18)
InChIKeyPPVVQDBJUSBWHW-UHFFFAOYSA-N
XLogP1.31
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol with MolForge

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Related Compounds

N4-[3-[2-[(1-methylpyrazol-3-yl)methylamino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 60202664
N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66549112
(2R)-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518373
(2S)-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518374
(2R)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518375
(2S)-3-methyl-2-[[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518530
2-[9-Propan-2-yl-6-(pyridazin-4-ylamino)purin-8-yl]propane-1,3-diol
CID 71716749
2-Methyl-2-[9-propan-2-yl-6-(pyridazin-4-ylamino)purin-2-yl]propan-1-ol
CID 71720387
N-(1-methylpiperidin-4-yl)-3-(1-pyrimidin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 72375344
N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
CID 73346435
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
(2S)-2-[[3-(2-aminopyrimidin-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137645650

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 58857692) is 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(-c3cnn(C)c3)n2n1.
What is the InChIKey of 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is PPVVQDBJUSBWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-11(9-21)17-13-4-5-14-15-7-12(20(14)18-13)10-6-16-19(2)8-10/h4-8,11,21H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 286.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 58857692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).