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

C27H31F4N7O3 — CID 167245509

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

N-[(S)-[7-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 167245509) has the molecular formula C27H31F4N7O3 and a molecular weight of 577.58 g/mol. Its IUPAC name is N-[(S)-[7-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 167245509
• Molecular Formula: C27H31F4N7O3
• Molecular Weight: 577.58 g/mol
• Exact Mass: 577.24
• IUPAC Name: N-[(S)-[7-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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(NC(=O)C(F)(F)CC3CC3)C3CC3)cc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C27H31F4N7O3/c1-14-21(37-41-36-14)24(39)34-23(17-6-8-26(28,29)9-7-17)19-13-38-20(33-19)10-18(12-32-38)22(16-4-5-16)35-25(40)27(30,31)11-15-2-3-15/h10,12-13,15-17,22-23H,2-9,11H2,1H3,(H,34,39)(H,35,40)/t22?,23-/m0/s1
• InChIKey: SRLCYUTXGMNYJM-WCSIJFPASA-N
• XLogP: 4.72
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.58
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[7-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 167245509) is N-[(S)-[7-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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(NC(=O)C(F)(F)CC3CC3)C3CC3)cc2n1)C1CCC(F)(F)CC1.

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

The InChIKey is SRLCYUTXGMNYJM-WCSIJFPASA-N. The full InChI is InChI=1S/C27H31F4N7O3/c1-14-21(37-41-36-14)24(39)34-23(17-6-8-26(28,29)9-7-17)19-13-38-20(33-19)10-18(12-32-38)22(16-4-5-16)35-25(40)27(30,31)11-15-2-3-15/h10,12-13,15-17,22-23H,2-9,11H2,1H3,(H,34,39)(H,35,40)/t22?,23-/m0/s1.

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

N-[(S)-[7-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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 577.58 g/mol, XLogP of 4.72, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[7-[cyclopropyl-[(3-cyclopropyl-2,2-difluoropropanoyl)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 167245509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).