N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C25H27F6N7O3 — CID 167245202

About N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 167245202) has the molecular formula C25H27F6N7O3 and a molecular weight of 587.53 g/mol. Its IUPAC name is N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 167245202
• Molecular Formula: C25H27F6N7O3
• Molecular Weight: 587.53 g/mol
• Exact Mass: 587.21
• IUPAC Name: N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)N[C@H](c1cn2ncc([C@H](NC(=O)[C@H](F)CC(F)(F)F)C3CC3)cc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C25H27F6N7O3/c1-12-19(37-41-36-12)23(40)35-21(14-4-6-24(27,28)7-5-14)17-11-38-18(33-17)8-15(10-32-38)20(13-2-3-13)34-22(39)16(26)9-25(29,30)31/h8,10-11,13-14,16,20-21H,2-7,9H2,1H3,(H,34,39)(H,35,40)/t16-,20-,21+/m1/s1
• InChIKey: BESNCZWZEKESPA-HBGVWJBISA-N
• XLogP: 4.58
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.53
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 167245202) is N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H](c1cn2ncc([C@H](NC(=O)[C@H](F)CC(F)(F)F)C3CC3)cc2n1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is BESNCZWZEKESPA-HBGVWJBISA-N. The full InChI is InChI=1S/C25H27F6N7O3/c1-12-19(37-41-36-12)23(40)35-21(14-4-6-24(27,28)7-5-14)17-11-38-18(33-17)8-15(10-32-38)20(13-2-3-13)34-22(39)16(26)9-25(29,30)31/h8,10-11,13-14,16,20-21H,2-7,9H2,1H3,(H,34,39)(H,35,40)/t16-,20-,21+/m1/s1.

What are the key properties of N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 587.53 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 167245202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).