N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C17H12BrF2N7O — CID 59233213

IUPACN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1)C1CC1
InChIInChI=1S/C17H12BrF2N7O/c18-10-3-5-14-23-24-16(26(14)7-10)17(19,20)11-4-6-13-21-12(8-27(13)25-11)22-15(28)9-1-2-9/h3-9H,1-2H2,(H,22,28)
InChIKeyBXQYABURMMLAGX-UHFFFAOYSA-N
MW448.23 g/mol
LogP3.02
Rot. Bonds4

About N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233213) has the molecular formula C17H12BrF2N7O and a molecular weight of 448.23 g/mol. Its IUPAC name is N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233213
Molecular FormulaC17H12BrF2N7O
Molecular Weight448.23 g/mol
Exact Mass447.03
IUPAC NameN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1)C1CC1
InChIInChI=1S/C17H12BrF2N7O/c18-10-3-5-14-23-24-16(26(14)7-10)17(19,20)11-4-6-13-21-12(8-27(13)25-11)22-15(28)9-1-2-9/h3-9H,1-2H2,(H,22,28)
InChIKeyBXQYABURMMLAGX-UHFFFAOYSA-N
XLogP3.02
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233213) is N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(C(F)(F)c3nnc4ccc(Br)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is BXQYABURMMLAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2N7O/c18-10-3-5-14-23-24-16(26(14)7-10)17(19,20)11-4-6-13-21-12(8-27(13)25-11)22-15(28)9-1-2-9/h3-9H,1-2H2,(H,22,28).
What are the key properties of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 448.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).