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

C16H12BrN7OS — CID 46174984

IUPACN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(Br)cn34)ccc2n1)C1CC1
InChIInChI=1S/C16H12BrN7OS/c17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9/h3-9H,1-2H2,(H,19,25)
InChIKeyFKTKPXQETWSUSX-UHFFFAOYSA-N
MW430.29 g/mol
LogP3.03
Rot. Bonds4

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

N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 46174984) has the molecular formula C16H12BrN7OS and a molecular weight of 430.29 g/mol. Its IUPAC name is N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]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)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID46174984
Molecular FormulaC16H12BrN7OS
Molecular Weight430.29 g/mol
Exact Mass429.00
IUPAC NameN-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2nc(Sc3nnc4ccc(Br)cn34)ccc2n1)C1CC1
InChIInChI=1S/C16H12BrN7OS/c17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9/h3-9H,1-2H2,(H,19,25)
InChIKeyFKTKPXQETWSUSX-UHFFFAOYSA-N
XLogP3.03
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]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)sulfanyl]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)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 46174984) is N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]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)sulfanyl]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)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2nc(Sc3nnc4ccc(Br)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is FKTKPXQETWSUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN7OS/c17-10-3-4-13-20-21-16(23(13)7-10)26-14-6-5-12-18-11(8-24(12)22-14)19-15(25)9-1-2-9/h3-9H,1-2H2,(H,19,25).
What are the key properties of N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 430.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46174984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).