3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine

C43H37BrF4N10 — CID 157198188

IUPAC3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cccc(F)n1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(Br)n3n2)c1
InChIInChI=1S/C21H17F2N5.C16H14BrFN4.C6H6FN/c22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;17-14-10-19-15-6-7-16(20-22(14)15)21-8-2-5-13(21)11-3-1-4-12(18)9-11;1-5-3-2-4-6(7)8-5/h1-2,4-6,8-10,12-13,17H,3,7,11H2;1,3-4,6-7,9-10,13H,2,5,8H2;2-4H,1H3/t17-;13-;/m11./s1
InChIKeyAQMJGIUWHARAOU-IJRGIRCESA-N
MW849.74 g/mol
LogP9.91
Rot. Bonds5

About 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine

3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 157198188) has the molecular formula C43H37BrF4N10 and a molecular weight of 849.74 g/mol. Its IUPAC name is 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID157198188
Molecular FormulaC43H37BrF4N10
Molecular Weight849.74 g/mol
Exact Mass848.23
IUPAC Name3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cccc(F)n1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(Br)n3n2)c1
InChIInChI=1S/C21H17F2N5.C16H14BrFN4.C6H6FN/c22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;17-14-10-19-15-6-7-16(20-22(14)15)21-8-2-5-13(21)11-3-1-4-12(18)9-11;1-5-3-2-4-6(7)8-5/h1-2,4-6,8-10,12-13,17H,3,7,11H2;1,3-4,6-7,9-10,13H,2,5,8H2;2-4H,1H3/t17-;13-;/m11./s1
InChIKeyAQMJGIUWHARAOU-IJRGIRCESA-N
XLogP9.91
TPSA92.64 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.74
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
CID 58335500
2-(4-Fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
CID 68518789
2-[2-[3-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyridin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153166
2-Phenyl-3-pyrid-4-yl-6-(4-pyrrolidin-1-ylpiperid-1-yl)imidazo[1,2-b]pyridazine
CID 59406955
N-(3-fluoro-2-pyridyl)-5-[6-[(1-methyl-4-piperidyl)methyl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66548925
3-[6-[(3-fluoro-2-pyridyl)amino]-3-pyridyl]-N-(4-pyrrolidin-1-ylcyclohexyl)imidazo[1,2-b]pyridazin-6-amine
CID 66549110
3-[6-[(3-fluoro-2-pyridyl)amino]-3-pyridyl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine
CID 66551901
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517752
6-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 74396249
2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145968901
4-[4-[5-[(4-Fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032848

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine (CID 157198188) is 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine is Cc1cccc(F)n1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(F)n4)n3n2)c1.Fc1cccc([C@H]2CCCN2c2ccc3ncc(Br)n3n2)c1.
What is the InChIKey of 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is AQMJGIUWHARAOU-IJRGIRCESA-N. The full InChI is InChI=1S/C21H17F2N5.C16H14BrFN4.C6H6FN/c22-15-5-1-4-14(12-15)17-7-3-11-27(17)21-10-9-20-24-13-18(28(20)26-21)16-6-2-8-19(23)25-16;17-14-10-19-15-6-7-16(20-22(14)15)21-8-2-5-13(21)11-3-1-4-12(18)9-11;1-5-3-2-4-6(7)8-5/h1-2,4-6,8-10,12-13,17H,3,7,11H2;1,3-4,6-7,9-10,13H,2,5,8H2;2-4H,1H3/t17-;13-;/m11./s1.
What are the key properties of 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine?
3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 849.74 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;2-fluoro-6-methylpyridine;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157198188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).