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

C19H20N6O — CID 25103807

IUPAC3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3cnn(Cc4ccccc4)c3)n2n1
InChIInChI=1S/C19H20N6O/c26-10-4-9-20-18-7-8-19-21-12-17(25(19)23-18)16-11-22-24(14-16)13-15-5-2-1-3-6-15/h1-3,5-8,11-12,14,26H,4,9-10,13H2,(H,20,23)
InChIKeyRXPXYZYROMKRFK-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.44
Rot. Bonds7

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

3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (PubChem CID 25103807) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
PubChem CID25103807
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3cnn(Cc4ccccc4)c3)n2n1
InChIInChI=1S/C19H20N6O/c26-10-4-9-20-18-7-8-19-21-12-17(25(19)23-18)16-11-22-24(14-16)13-15-5-2-1-3-6-15/h1-3,5-8,11-12,14,26H,4,9-10,13H2,(H,20,23)
InChIKeyRXPXYZYROMKRFK-UHFFFAOYSA-N
XLogP2.44
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
CID 126470569
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157462785
3-[(3-ethynylimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-ol
CID 144888691
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 58857796
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
CID 90388471
N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine
CID 123679403
N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453652
N-(3-morpholin-4-ylpropyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 66890283
acetic acid;1-[5-[6-[3-(methylamino)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 86696328

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (CID 25103807) is 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is OCCCNc1ccc2ncc(-c3cnn(Cc4ccccc4)c3)n2n1.
What is the InChIKey of 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The InChIKey is RXPXYZYROMKRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-10-4-9-20-18-7-8-19-21-12-17(25(19)23-18)16-11-22-24(14-16)13-15-5-2-1-3-6-15/h1-3,5-8,11-12,14,26H,4,9-10,13H2,(H,20,23).
What are the key properties of 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol has a molecular weight of 348.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-benzylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 25103807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).