4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide

C₁₇H₁₇F₃N₆O₃ — CID 157030510

About 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide

4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 157030510) has the molecular formula C₁₇H₁₇F₃N₆O₃ and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 157030510
• Molecular Formula: C₁₇H₁₇F₃N₆O₃
• Molecular Weight: 410.36 g/mol
• Exact Mass: 410.13
• IUPAC Name: 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
• SMILES: Cc1cnoc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1
• InChI: InChI=1S/C17H17F3N6O3/c1-10-5-24-29-15(10)16(28)22-8-12-9-26-13(25-12)4-11(7-23-26)6-21-14(27)2-3-17(18,19)20/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,27)(H,22,28)
• InChIKey: AMMOAJRITHXCHR-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 114.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.36
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide (CID 157030510) is 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.

What is the InChIKey of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?

The InChIKey is AMMOAJRITHXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O3/c1-10-5-24-29-15(10)16(28)22-8-12-9-26-13(25-12)4-11(7-23-26)6-21-14(27)2-3-17(18,19)20/h4-5,7,9H,2-3,6,8H2,1H3,(H,21,27)(H,22,28).

What are the key properties of 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide?

4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 410.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 157030510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157030510 — identifiers, structure, computed properties (public domain)

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