N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C23H27F2N7O3 — CID 166825663

About N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166825663) has the molecular formula C23H27F2N7O3 and a molecular weight of 487.51 g/mol. Its IUPAC name is N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 166825663
• Molecular Formula: C23H27F2N7O3
• Molecular Weight: 487.51 g/mol
• Exact Mass: 487.21
• IUPAC Name: N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)NCc1cn2ncc([C@H](CC3CCC3)NC(=O)CC3CC(F)(F)C3)cc2n1
• InChI: InChI=1S/C23H27F2N7O3/c1-13-21(31-35-30-13)22(34)26-11-17-12-32-19(28-17)7-16(10-27-32)18(5-14-3-2-4-14)29-20(33)6-15-8-23(24,25)9-15/h7,10,12,14-15,18H,2-6,8-9,11H2,1H3,(H,26,34)(H,29,33)/t18-/m0/s1
• InChIKey: AIUGDSDKFIKMFV-SFHVURJKSA-N
• XLogP: 3.13
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166825663) is N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCc1cn2ncc([C@H](CC3CCC3)NC(=O)CC3CC(F)(F)C3)cc2n1.

What is the InChIKey of N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is AIUGDSDKFIKMFV-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27F2N7O3/c1-13-21(31-35-30-13)22(34)26-11-17-12-32-19(28-17)7-16(10-27-32)18(5-14-3-2-4-14)29-20(33)6-15-8-23(24,25)9-15/h7,10,12,14-15,18H,2-6,8-9,11H2,1H3,(H,26,34)(H,29,33)/t18-/m0/s1.

What are the key properties of N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[(1S)-2-cyclobutyl-1-[[2-(3,3-difluorocyclobutyl)acetyl]amino]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166825663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).