5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine

C24H15BrF6N10 — CID 87536873

IUPAC5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3ncc(Br)n3n2)cc1C(F)(F)F.Nc1ncc(-c2ccc3nccn3n2)cc1C(F)(F)F
InChIInChI=1S/C12H7BrF3N5.C12H8F3N5/c13-9-5-18-10-2-1-8(20-21(9)10)6-3-7(12(14,15)16)11(17)19-4-6;13-12(14,15)8-5-7(6-18-11(8)16)9-1-2-10-17-3-4-20(10)19-9/h1-5H,(H2,17,19);1-6H,(H2,16,18)
InChIKeySXUBCYAUSUIKJH-UHFFFAOYSA-N
MW637.35 g/mol
LogP5.55
Rot. Bonds2

About 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine

5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 87536873) has the molecular formula C24H15BrF6N10 and a molecular weight of 637.35 g/mol. Its IUPAC name is 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID87536873
Molecular FormulaC24H15BrF6N10
Molecular Weight637.35 g/mol
Exact Mass636.06
IUPAC Name5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3ncc(Br)n3n2)cc1C(F)(F)F.Nc1ncc(-c2ccc3nccn3n2)cc1C(F)(F)F
InChIInChI=1S/C12H7BrF3N5.C12H8F3N5/c13-9-5-18-10-2-1-8(20-21(9)10)6-3-7(12(14,15)16)11(17)19-4-6;13-12(14,15)8-5-7(6-18-11(8)16)9-1-2-10-17-3-4-20(10)19-9/h1-5H,(H2,17,19);1-6H,(H2,16,18)
InChIKeySXUBCYAUSUIKJH-UHFFFAOYSA-N
XLogP5.55
TPSA138.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.35
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine (CID 87536873) is 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccc3ncc(Br)n3n2)cc1C(F)(F)F.Nc1ncc(-c2ccc3nccn3n2)cc1C(F)(F)F.
What is the InChIKey of 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SXUBCYAUSUIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N5.C12H8F3N5/c13-9-5-18-10-2-1-8(20-21(9)10)6-3-7(12(14,15)16)11(17)19-4-6;13-12(14,15)8-5-7(6-18-11(8)16)9-1-2-10-17-3-4-20(10)19-9/h1-5H,(H2,17,19);1-6H,(H2,16,18).
What are the key properties of 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine?
5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 637.35 g/mol, XLogP of 5.55, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-3-(trifluoromethyl)pyridin-2-amine;5-imidazo[1,2-b]pyridazin-6-yl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 87536873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).