1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol

C13H13BrClN5O — CID 158073574

IUPAC1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc3ncc(Br)n3nc2Cl)cn1
InChIInChI=1S/C13H13BrClN5O/c1-13(2,21)7-19-6-8(4-17-19)9-3-11-16-5-10(14)20(11)18-12(9)15/h3-6,21H,7H2,1-2H3
InChIKeyFMCGYADBFTWSHW-UHFFFAOYSA-N
MW370.64 g/mol
LogP2.78
Rot. Bonds3

About 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 158073574) has the molecular formula C13H13BrClN5O and a molecular weight of 370.64 g/mol. Its IUPAC name is 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID158073574
Molecular FormulaC13H13BrClN5O
Molecular Weight370.64 g/mol
Exact Mass369.00
IUPAC Name1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc3ncc(Br)n3nc2Cl)cn1
InChIInChI=1S/C13H13BrClN5O/c1-13(2,21)7-19-6-8(4-17-19)9-3-11-16-5-10(14)20(11)18-12(9)15/h3-6,21H,7H2,1-2H3
InChIKeyFMCGYADBFTWSHW-UHFFFAOYSA-N
XLogP2.78
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 175947839
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CID 166535069
1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166320415
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
4-(2-bromo-4-chlorophenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 135205319
(2S)-2-amino-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
CID 172529904
3-bromo-7-(1-methylpyrazol-4-yl)-6-(oxolan-3-yloxy)imidazo[1,2-b]pyridazine
CID 166643766
1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
CID 170144726
3-bromo-7-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 66812305
(3S)-3-[3-bromo-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]oxypyrrolidin-2-one
CID 157157693
2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
CID 146965384
3-chloro-4-[[5-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 170983168

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol (CID 158073574) is 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2cc3ncc(Br)n3nc2Cl)cn1.
What is the InChIKey of 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is FMCGYADBFTWSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN5O/c1-13(2,21)7-19-6-8(4-17-19)9-3-11-16-5-10(14)20(11)18-12(9)15/h3-6,21H,7H2,1-2H3.
What are the key properties of 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 370.64 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 158073574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).