[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid

C21H24F3N5O3 — CID 170340258

About [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid

[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid (PubChem CID 170340258) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid.

Molecular Properties

• Compound Name: [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid
• PubChem CID: 170340258
• Molecular Formula: C21H24F3N5O3
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.18
• IUPAC Name: [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid
• SMILES: O=C(O)NC(c1cn2nc(C[C@H]3C[C@@H](C(F)(F)F)NC3=O)ccc2n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C21H24F3N5O3/c22-21(23,24)15-8-12(19(30)26-15)7-13-5-6-16-25-14(9-29(16)28-13)18(27-20(31)32)17(10-1-2-10)11-3-4-11/h5-6,9-12,15,17-18,27H,1-4,7-8H2,(H,26,30)(H,31,32)/t12-,15-,18?/m0/s1
• InChIKey: QGDFZBHSVZXFMX-DJGLPDFBSA-N
• XLogP: 3.08
• TPSA: 108.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid?

The IUPAC name of [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid (CID 170340258) is [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid.

What is the SMILES notation for [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid?

The canonical SMILES for [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid is O=C(O)NC(c1cn2nc(C[C@H]3C[C@@H](C(F)(F)F)NC3=O)ccc2n1)C(C1CC1)C1CC1.

What is the InChIKey of [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid?

The InChIKey is QGDFZBHSVZXFMX-DJGLPDFBSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c22-21(23,24)15-8-12(19(30)26-15)7-13-5-6-16-25-14(9-29(16)28-13)18(27-20(31)32)17(10-1-2-10)11-3-4-11/h5-6,9-12,15,17-18,27H,1-4,7-8H2,(H,26,30)(H,31,32)/t12-,15-,18?/m0/s1.

What are the key properties of [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid?

[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid has a molecular weight of 451.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 170340258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).