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

C27H31F4N7O3 — CID 167245972

About N-[(S)-[7-[cyclopropyl-[3-(2,2-difluorocyclopropyl)propanoylamino]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-(2,2-difluorocyclopropyl)propanoylamino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 167245972) has the molecular formula C27H31F4N7O3 and a molecular weight of 577.58 g/mol. Its IUPAC name is N-[(S)-[7-[cyclopropyl-[3-(2,2-difluorocyclopropyl)propanoylamino]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-(2,2-difluorocyclopropyl)propanoylamino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 167245972
• Molecular Formula: C27H31F4N7O3
• Molecular Weight: 577.58 g/mol
• Exact Mass: 577.24
• IUPAC Name: N-[(S)-[7-[cyclopropyl-[3-(2,2-difluorocyclopropyl)propanoylamino]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)CCC3CC3(F)F)C3CC3)cc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C27H31F4N7O3/c1-14-22(37-41-36-14)25(40)35-24(16-6-8-26(28,29)9-7-16)19-13-38-20(33-19)10-17(12-32-38)23(15-2-3-15)34-21(39)5-4-18-11-27(18,30)31/h10,12-13,15-16,18,23-24H,2-9,11H2,1H3,(H,34,39)(H,35,40)/t18?,23?,24-/m0/s1
• InChIKey: ALIZSZOUAZUYAW-WQMGSUCASA-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-(2,2-difluorocyclopropyl)propanoylamino]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-(2,2-difluorocyclopropyl)propanoylamino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 167245972) is N-[(S)-[7-[cyclopropyl-[3-(2,2-difluorocyclopropyl)propanoylamino]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-(2,2-difluorocyclopropyl)propanoylamino]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-(2,2-difluorocyclopropyl)propanoylamino]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)CCC3CC3(F)F)C3CC3)cc2n1)C1CCC(F)(F)CC1.

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

The InChIKey is ALIZSZOUAZUYAW-WQMGSUCASA-N. The full InChI is InChI=1S/C27H31F4N7O3/c1-14-22(37-41-36-14)25(40)35-24(16-6-8-26(28,29)9-7-16)19-13-38-20(33-19)10-17(12-32-38)23(15-2-3-15)34-21(39)5-4-18-11-27(18,30)31/h10,12-13,15-16,18,23-24H,2-9,11H2,1H3,(H,34,39)(H,35,40)/t18?,23?,24-/m0/s1.

What are the key properties of N-[(S)-[7-[cyclopropyl-[3-(2,2-difluorocyclopropyl)propanoylamino]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-(2,2-difluorocyclopropyl)propanoylamino]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-(2,2-difluorocyclopropyl)propanoylamino]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 167245972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).