N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide

C27H32F3N7O2 — CID 170339785

About N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide

N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 170339785) has the molecular formula C27H32F3N7O2 and a molecular weight of 543.59 g/mol. Its IUPAC name is N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 170339785
• Molecular Formula: C27H32F3N7O2
• Molecular Weight: 543.59 g/mol
• Exact Mass: 543.26
• IUPAC Name: N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCn1nccc1C(=O)NC(c1cn2ncc(CC3C[C@H](C(F)(F)F)CNC3=O)cc2n1)C(C1CC1)C1CC1
• InChI: InChI=1S/C27H32F3N7O2/c1-2-36-21(7-8-32-36)26(39)35-24(23(16-3-4-16)17-5-6-17)20-14-37-22(34-20)10-15(12-33-37)9-18-11-19(27(28,29)30)13-31-25(18)38/h7-8,10,12,14,16-19,23-24H,2-6,9,11,13H2,1H3,(H,31,38)(H,35,39)/t18?,19-,24?/m0/s1
• InChIKey: LAOQSLFVFRNBIX-SZTYLXMGSA-N
• XLogP: 3.71
• TPSA: 106.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.59
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide (CID 170339785) is N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?

The canonical SMILES for N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(c1cn2ncc(CC3C[C@H](C(F)(F)F)CNC3=O)cc2n1)C(C1CC1)C1CC1.

What is the InChIKey of N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?

The InChIKey is LAOQSLFVFRNBIX-SZTYLXMGSA-N. The full InChI is InChI=1S/C27H32F3N7O2/c1-2-36-21(7-8-32-36)26(39)35-24(23(16-3-4-16)17-5-6-17)20-14-37-22(34-20)10-15(12-33-37)9-18-11-19(27(28,29)30)13-31-25(18)38/h7-8,10,12,14,16-19,23-24H,2-6,9,11,13H2,1H3,(H,31,38)(H,35,39)/t18?,19-,24?/m0/s1.

What are the key properties of N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide?

N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 543.59 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,2-dicyclopropyl-1-[7-[[(5S)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 170339785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).