3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

C13H10BrFN4 — CID 71448501

IUPAC3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(CNc2ccc3ncc(Br)n3n2)cc1
InChIInChI=1S/C13H10BrFN4/c14-11-8-17-13-6-5-12(18-19(11)13)16-7-9-1-3-10(15)4-2-9/h1-6,8H,7H2,(H,16,18)
InChIKeyIVNKVXLPTYRPFU-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.24
Rot. Bonds3

About 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 71448501) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID71448501
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(CNc2ccc3ncc(Br)n3n2)cc1
InChIInChI=1S/C13H10BrFN4/c14-11-8-17-13-6-5-12(18-19(11)13)16-7-9-1-3-10(15)4-2-9/h1-6,8H,7H2,(H,16,18)
InChIKeyIVNKVXLPTYRPFU-UHFFFAOYSA-N
XLogP3.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
6-Bromo-2-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168290165
6-(4-Fluorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 618001
3-Bromo-7-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3638695
4-[6-(Benzylamino)imidazo[1,2-B]pyridazin-3-Yl]benzonitrile
CID 122179540
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6865815
3-[[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propyl-dipropyl-amine
CID 9550643
Mls002693968
CID 253289
3-(4-Fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine
CID 726694
N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10333282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 71448501) is 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is Fc1ccc(CNc2ccc3ncc(Br)n3n2)cc1.
What is the InChIKey of 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IVNKVXLPTYRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c14-11-8-17-13-6-5-12(18-19(11)13)16-7-9-1-3-10(15)4-2-9/h1-6,8H,7H2,(H,16,18).
What are the key properties of 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 321.15 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 71448501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).