3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine

C16H18BrN5O2 — CID 158705344

IUPAC3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCC(C)n1cc(-c2cc3ncc(Br)n3nc2O[C@H]2CCOC2)cn1
InChIInChI=1S/C16H18BrN5O2/c1-10(2)21-8-11(6-19-21)13-5-15-18-7-14(17)22(15)20-16(13)24-12-3-4-23-9-12/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m0/s1
InChIKeyIIATXBRZPQTOOS-LBPRGKRZSA-N
MW392.26 g/mol
LogP3.10
Rot. Bonds4

About 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine

3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 158705344) has the molecular formula C16H18BrN5O2 and a molecular weight of 392.26 g/mol. Its IUPAC name is 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine
PubChem CID158705344
Molecular FormulaC16H18BrN5O2
Molecular Weight392.26 g/mol
Exact Mass391.06
IUPAC Name3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCC(C)n1cc(-c2cc3ncc(Br)n3nc2O[C@H]2CCOC2)cn1
InChIInChI=1S/C16H18BrN5O2/c1-10(2)21-8-11(6-19-21)13-5-15-18-7-14(17)22(15)20-16(13)24-12-3-4-23-9-12/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m0/s1
InChIKeyIIATXBRZPQTOOS-LBPRGKRZSA-N
XLogP3.10
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine
CID 166643766
N-methyl-3-[7-(1-methylpyrazol-4-yl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162265809
4-fluoro-3-formyl-N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 166643712
3,4-difluoro-N-methyl-5-[6-(oxolan-3-yloxy)-7-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 166643762
3,4-difluoro-N-methyl-5-[7-(6-methyl-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxyimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 159860896
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
CID 79535032
N-[[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 63557699
N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
CID 62903541
5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine
CID 118036259
5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine
CID 137449494
2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 167302803
[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol
CID 63558075

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine (CID 158705344) is 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine is CC(C)n1cc(-c2cc3ncc(Br)n3nc2O[C@H]2CCOC2)cn1.
What is the InChIKey of 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is IIATXBRZPQTOOS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18BrN5O2/c1-10(2)21-8-11(6-19-21)13-5-15-18-7-14(17)22(15)20-16(13)24-12-3-4-23-9-12/h5-8,10,12H,3-4,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 392.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(3S)-oxolan-3-yl]oxy-7-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 158705344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).