methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate

C15H9BrF2N6O2 — CID 59233216

IUPACmethyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCOC(=O)c1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1
InChIInChI=1S/C15H9BrF2N6O2/c1-26-13(25)9-7-24-11(19-9)5-3-10(22-24)15(17,18)14-21-20-12-4-2-8(16)6-23(12)14/h2-7H,1H3
InChIKeyUEUSNACZROOYDS-UHFFFAOYSA-N
MW423.18 g/mol
LogP2.46
Rot. Bonds3

About methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate

methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 59233216) has the molecular formula C15H9BrF2N6O2 and a molecular weight of 423.18 g/mol. Its IUPAC name is methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID59233216
Molecular FormulaC15H9BrF2N6O2
Molecular Weight423.18 g/mol
Exact Mass421.99
IUPAC Namemethyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCOC(=O)c1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1
InChIInChI=1S/C15H9BrF2N6O2/c1-26-13(25)9-7-24-11(19-9)5-3-10(22-24)15(17,18)14-21-20-12-4-2-8(16)6-23(12)14/h2-7H,1H3
InChIKeyUEUSNACZROOYDS-UHFFFAOYSA-N
XLogP2.46
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate (CID 59233216) is methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate is COC(=O)c1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1.
What is the InChIKey of methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is UEUSNACZROOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N6O2/c1-26-13(25)9-7-24-11(19-9)5-3-10(22-24)15(17,18)14-21-20-12-4-2-8(16)6-23(12)14/h2-7H,1H3.
What are the key properties of methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate?
methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 423.18 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 59233216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).