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

C26H30F3N7O3 — CID 163526034

About N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2-cyclopropyl-2-fluoroacetyl]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-cyclopropyl-2-fluoroacetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 163526034) has the molecular formula C26H30F3N7O3 and a molecular weight of 545.57 g/mol. Its IUPAC name is N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2-cyclopropyl-2-fluoroacetyl]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-cyclopropyl-2-fluoroacetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 163526034
• Molecular Formula: C26H30F3N7O3
• Molecular Weight: 545.57 g/mol
• Exact Mass: 545.24
• IUPAC Name: N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2-cyclopropyl-2-fluoroacetyl]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)C3CC3)C3CC3)cc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C26H30F3N7O3/c1-13-21(35-39-34-13)25(38)33-23(16-6-8-26(28,29)9-7-16)18-12-36-19(31-18)10-17(11-30-36)22(15-4-5-15)32-24(37)20(27)14-2-3-14/h10-12,14-16,20,22-23H,2-9H2,1H3,(H,32,37)(H,33,38)/t20-,22-,23+/m1/s1
• InChIKey: DOVNHMUGBDJLNM-MZYLBHOOSA-N
• XLogP: 4.03
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.57
LogP ≤ 5	4.03
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-cyclopropyl-2-fluoroacetyl]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-cyclopropyl-2-fluoroacetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 163526034) is N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2-cyclopropyl-2-fluoroacetyl]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-cyclopropyl-2-fluoroacetyl]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-cyclopropyl-2-fluoroacetyl]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)C3CC3)C3CC3)cc2n1)C1CCC(F)(F)CC1.

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

The InChIKey is DOVNHMUGBDJLNM-MZYLBHOOSA-N. The full InChI is InChI=1S/C26H30F3N7O3/c1-13-21(35-39-34-13)25(38)33-23(16-6-8-26(28,29)9-7-16)18-12-36-19(31-18)10-17(11-30-36)22(15-4-5-15)32-24(37)20(27)14-2-3-14/h10-12,14-16,20,22-23H,2-9H2,1H3,(H,32,37)(H,33,38)/t20-,22-,23+/m1/s1.

What are the key properties of N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2-cyclopropyl-2-fluoroacetyl]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-cyclopropyl-2-fluoroacetyl]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 545.57 g/mol, XLogP of 4.03, 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-cyclopropyl-2-fluoroacetyl]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 163526034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).