N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C21H19N9O3 — CID 59233166

About N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233166) has the molecular formula C21H19N9O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• PubChem CID: 59233166
• Molecular Formula: C21H19N9O3
• Molecular Weight: 445.44 g/mol
• Exact Mass: 445.16
• IUPAC Name: N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
• SMILES: CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(-c3noc(CO)n3)cn12
• InChI: InChI=1S/C21H19N9O3/c1-11(14-5-7-16-22-15(9-30(16)27-14)23-21(32)12-2-3-12)20-26-25-17-6-4-13(8-29(17)20)19-24-18(10-31)33-28-19/h4-9,11-12,31H,2-3,10H2,1H3,(H,23,32)
• InChIKey: APEVUOYFFFOUDX-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 148.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.44
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233166) is N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CC(c1ccc2nc(NC(=O)C3CC3)cn2n1)c1nnc2ccc(-c3noc(CO)n3)cn12.

What is the InChIKey of N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

The InChIKey is APEVUOYFFFOUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O3/c1-11(14-5-7-16-22-15(9-30(16)27-14)23-21(32)12-2-3-12)20-26-25-17-6-4-13(8-29(17)20)19-24-18(10-31)33-28-19/h4-9,11-12,31H,2-3,10H2,1H3,(H,23,32).

What are the key properties of N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?

N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 445.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).