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

C18H17N7O2S — CID 59233124

IUPACN-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C18H17N7O2S/c1-2-27-12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11/h5-11H,2-4H2,1H3,(H,20,26)
InChIKeyCNGSAEIRAUHMHX-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.67
Rot. Bonds6

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

N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233124) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[6-[(6-ethoxy-[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-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233124
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC NameN-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1
InChIInChI=1S/C18H17N7O2S/c1-2-27-12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11/h5-11H,2-4H2,1H3,(H,20,26)
InChIKeyCNGSAEIRAUHMHX-UHFFFAOYSA-N
XLogP2.67
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-ethoxy-[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-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233124) is N-[6-[(6-ethoxy-[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-ethoxy-[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-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.
What is the InChIKey of N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is CNGSAEIRAUHMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-2-27-12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11/h5-11H,2-4H2,1H3,(H,20,26).
What are the key properties of N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 395.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).