N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

C25H28F3N7O3 — CID 170340399

About N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 170340399) has the molecular formula C25H28F3N7O3 and a molecular weight of 531.54 g/mol. Its IUPAC name is N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 170340399
• Molecular Formula: C25H28F3N7O3
• Molecular Weight: 531.54 g/mol
• Exact Mass: 531.22
• IUPAC Name: N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: CCc1nonc1C(=O)NC(c1cn2nc(C[C@H]3C[C@@H](C(F)(F)F)NC3=O)ccc2n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C25H28F3N7O3/c1-2-16-22(34-38-33-16)24(37)31-21(20(12-3-4-12)13-5-6-13)17-11-35-19(29-17)8-7-15(32-35)9-14-10-18(25(26,27)28)30-23(14)36/h7-8,11-14,18,20-21H,2-6,9-10H2,1H3,(H,30,36)(H,31,37)/t14-,18-,21?/m0/s1
• InChIKey: LFDJOXWERLTSCI-FKRMFMFISA-N
• XLogP: 3.19
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.54
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (CID 170340399) is N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is CCc1nonc1C(=O)NC(c1cn2nc(C[C@H]3C[C@@H](C(F)(F)F)NC3=O)ccc2n1)C(C1CC1)C1CC1.

What is the InChIKey of N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is LFDJOXWERLTSCI-FKRMFMFISA-N. The full InChI is InChI=1S/C25H28F3N7O3/c1-2-16-22(34-38-33-16)24(37)31-21(20(12-3-4-12)13-5-6-13)17-11-35-19(29-17)8-7-15(32-35)9-14-10-18(25(26,27)28)30-23(14)36/h7-8,11-14,18,20-21H,2-6,9-10H2,1H3,(H,30,36)(H,31,37)/t14-,18-,21?/m0/s1.

What are the key properties of N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,2-dicyclopropyl-1-[6-[[(3R,5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 170340399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).