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

C17H12N8OS — CID 46174985

IUPACN-[6-[(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C17H12N8OS/c18-7-10-1-4-14-21-22-17(24(14)8-10)27-15-6-5-13-19-12(9-25(13)23-15)20-16(26)11-2-3-11/h1,4-6,8-9,11H,2-3H2,(H,20,26)
InChIKeyORZIAZMNRSURHH-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.14
Rot. Bonds4

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

N-[6-[(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 46174985) has the molecular formula C17H12N8OS and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[6-[(6-cyano-[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-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID46174985
Molecular FormulaC17H12N8OS
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC NameN-[6-[(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C17H12N8OS/c18-7-10-1-4-14-21-22-17(24(14)8-10)27-15-6-5-13-19-12(9-25(13)23-15)20-16(26)11-2-3-11/h1,4-6,8-9,11H,2-3H2,(H,20,26)
InChIKeyORZIAZMNRSURHH-UHFFFAOYSA-N
XLogP2.14
TPSA113.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-cyano-[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-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 46174985) is N-[6-[(6-cyano-[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-cyano-[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-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is N#Cc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.
What is the InChIKey of N-[6-[(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is ORZIAZMNRSURHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8OS/c18-7-10-1-4-14-21-22-17(24(14)8-10)27-15-6-5-13-19-12(9-25(13)23-15)20-16(26)11-2-3-11/h1,4-6,8-9,11H,2-3H2,(H,20,26).
What are the key properties of N-[6-[(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-cyano-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46174985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).