2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol

C15H15BrN4O2 — CID 164537214

IUPAC2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(Br)n3)n2nc1C(C)(C)O
InChIInChI=1S/C15H15BrN4O2/c1-15(2,21)14-11(22-3)7-13-17-8-10(20(13)19-14)9-5-4-6-12(16)18-9/h4-8,21H,1-3H3
InChIKeyVXLQPXLZZRHOQJ-UHFFFAOYSA-N
MW363.22 g/mol
LogP2.79
Rot. Bonds3

About 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol

2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol (PubChem CID 164537214) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
PubChem CID164537214
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
SMILESCOc1cc2ncc(-c3cccc(Br)n3)n2nc1C(C)(C)O
InChIInChI=1S/C15H15BrN4O2/c1-15(2,21)14-11(22-3)7-13-17-8-10(20(13)19-14)9-5-4-6-12(16)18-9/h4-8,21H,1-3H3
InChIKeyVXLQPXLZZRHOQJ-UHFFFAOYSA-N
XLogP2.79
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-[6-[[(3S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
CID 174290597
6-chloro-3-(6-methoxy-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 139975761
2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methylamino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol
CID 170631092
3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine
CID 166961933
1,1,1-trifluoro-2-[7-methoxy-3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-b]pyridazin-6-yl]propan-2-ol
CID 170591578
5-fluoro-2-[[(3R,4R)-4-fluoropiperidin-3-yl]amino]-6-[6-(2-hydroxypropan-2-yl)-7-methoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
CID 177159618
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-3-methoxypyridin-2-amine
CID 170631104
2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129789
2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961630
2-(6-bromo-2-pyridinyl)-6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridine
CID 175690865
3-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)pyridin-2-amine
CID 177159305

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol (CID 164537214) is 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol is COc1cc2ncc(-c3cccc(Br)n3)n2nc1C(C)(C)O.
What is the InChIKey of 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
The InChIKey is VXLQPXLZZRHOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-15(2,21)14-11(22-3)7-13-17-8-10(20(13)19-14)9-5-4-6-12(16)18-9/h4-8,21H,1-3H3.
What are the key properties of 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol?
2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol has a molecular weight of 363.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-bromo-2-pyridinyl)-7-methoxyimidazo[1,2-b]pyridazin-6-yl]propan-2-ol is sourced from PubChem (CID 164537214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).