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

C28H34F5N7O3 — CID 167245375

About N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 167245375) has the molecular formula C28H34F5N7O3 and a molecular weight of 611.62 g/mol. Its IUPAC name is N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 167245375
• Molecular Formula: C28H34F5N7O3
• Molecular Weight: 611.62 g/mol
• Exact Mass: 611.26
• IUPAC Name: N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: CC[C@@H](CC(=O)NC(c1cnn2cc([C@@H](NC(=O)c3nonc3C)C3CCC(F)(F)CC3)nc2c1)C1CC1)CC(F)(F)F
• InChI: InChI=1S/C28H34F5N7O3/c1-3-16(12-28(31,32)33)10-22(41)36-24(17-4-5-17)19-11-21-35-20(14-40(21)34-13-19)25(18-6-8-27(29,30)9-7-18)37-26(42)23-15(2)38-43-39-23/h11,13-14,16-18,24-25H,3-10,12H2,1-2H3,(H,36,41)(H,37,42)/t16-,24?,25-/m0/s1
• InChIKey: HTHMSSVJCCFHFL-HEFAPJFXSA-N
• XLogP: 5.65
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.62
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 167245375) is N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is CC[C@@H](CC(=O)NC(c1cnn2cc([C@@H](NC(=O)c3nonc3C)C3CCC(F)(F)CC3)nc2c1)C1CC1)CC(F)(F)F.

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

The InChIKey is HTHMSSVJCCFHFL-HEFAPJFXSA-N. The full InChI is InChI=1S/C28H34F5N7O3/c1-3-16(12-28(31,32)33)10-22(41)36-24(17-4-5-17)19-11-21-35-20(14-40(21)34-13-19)25(18-6-8-27(29,30)9-7-18)37-26(42)23-15(2)38-43-39-23/h11,13-14,16-18,24-25H,3-10,12H2,1-2H3,(H,36,41)(H,37,42)/t16-,24?,25-/m0/s1.

What are the key properties of N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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 611.62 g/mol, XLogP of 5.65, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[7-[cyclopropyl-[[(3S)-3-ethyl-5,5,5-trifluoropentanoyl]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 167245375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).