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

C29H32F5N7O3 — CID 167245369

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

4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 167245369) has the molecular formula C29H32F5N7O3 and a molecular weight of 621.61 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 167245369
• Molecular Formula: C29H32F5N7O3
• Molecular Weight: 621.61 g/mol
• Exact Mass: 621.25
• IUPAC Name: 4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
• SMILES: O=C(CC1(C(F)(F)F)CC1)NC(c1cnn2cc([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1)C1CC1
• InChI: InChI=1S/C29H32F5N7O3/c30-28(31)7-5-17(6-8-28)23(38-26(43)25-24(16-3-4-16)39-44-40-25)19-14-41-20(36-19)11-18(13-35-41)22(15-1-2-15)37-21(42)12-27(9-10-27)29(32,33)34/h11,13-17,22-23H,1-10,12H2,(H,37,42)(H,38,43)/t22?,23-/m0/s1
• InChIKey: WSRGRNKDFAPVAG-WCSIJFPASA-N
• XLogP: 5.59
• TPSA: 127.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.61
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 167245369) is 4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

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

The canonical SMILES for 4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is O=C(CC1(C(F)(F)F)CC1)NC(c1cnn2cc([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1)C1CC1.

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

The InChIKey is WSRGRNKDFAPVAG-WCSIJFPASA-N. The full InChI is InChI=1S/C29H32F5N7O3/c30-28(31)7-5-17(6-8-28)23(38-26(43)25-24(16-3-4-16)39-44-40-25)19-14-41-20(36-19)11-18(13-35-41)22(15-1-2-15)37-21(42)12-27(9-10-27)29(32,33)34/h11,13-17,22-23H,1-10,12H2,(H,37,42)(H,38,43)/t22?,23-/m0/s1.

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

4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 621.61 g/mol, XLogP of 5.59, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[2-[1-(trifluoromethyl)cyclopropyl]acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 167245369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).