N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C25H32F4N8O4 — CID 168729892

IUPACN-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOC[C@H](c1cnn2cc([C@H](CCC(C)(C)C(C)(F)F)NC(=O)c3nonc3C)nc2c1)N1CC(F)(F)CNC1=O
InChIInChI=1S/C25H32F4N8O4/c1-14-20(35-41-34-14)21(38)33-16(6-7-23(2,3)24(4,26)27)17-10-37-19(32-17)8-15(9-31-37)18(11-40-5)36-13-25(28,29)12-30-22(36)39/h8-10,16,18H,6-7,11-13H2,1-5H3,(H,30,39)(H,33,38)/t16-,18+/m0/s1
InChIKeyWVGIORDVHLSYIB-FUHWJXTLSA-N
MW584.58 g/mol
LogP3.70
Rot. Bonds11

About N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 168729892) has the molecular formula C25H32F4N8O4 and a molecular weight of 584.58 g/mol. Its IUPAC name is N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID168729892
Molecular FormulaC25H32F4N8O4
Molecular Weight584.58 g/mol
Exact Mass584.25
IUPAC NameN-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCOC[C@H](c1cnn2cc([C@H](CCC(C)(C)C(C)(F)F)NC(=O)c3nonc3C)nc2c1)N1CC(F)(F)CNC1=O
InChIInChI=1S/C25H32F4N8O4/c1-14-20(35-41-34-14)21(38)33-16(6-7-23(2,3)24(4,26)27)17-10-37-19(32-17)8-15(9-31-37)18(11-40-5)36-13-25(28,29)12-30-22(36)39/h8-10,16,18H,6-7,11-13H2,1-5H3,(H,30,39)(H,33,38)/t16-,18+/m0/s1
InChIKeyWVGIORDVHLSYIB-FUHWJXTLSA-N
XLogP3.70
TPSA139.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.58
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[7-[(1S)-2-cyclopropyloxy-1-(4,4,6,6-tetradeuterio-5,5-difluoro-2-oxo-1,3-diazinan-1-yl)ethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5,5-trifluoro-4,4-dimethylpentyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide
CID 168729820
4-cyclopropyl-N-[(1R,2R)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-2-[1-(trifluoromethyl)cyclopropyl]oxypropyl]-1,2,5-oxadiazole-3-carboxamide
CID 168729847
1-[(1S)-1-[2-[(1S)-1-amino-5,5,5-trifluoro-4,4-dimethylpentyl]imidazo[1,2-b]pyridazin-7-yl]-2-cyclopropyloxyethyl]-5,5-difluoro-1,3-diazinan-2-one;2,2,2-trifluoroacetic acid
CID 175903381
1-[(1S)-1-[2-[(1R,2R)-1-amino-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxypropyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;2,2,2-trifluoroacetic acid
CID 175903282
1-[(1S)-1-[2-[(1R,2R)-1-amino-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypropyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;2,2,2-trifluoroacetic acid
CID 175903378
1-[(1S)-1-[2-[(1R)-1-amino-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]imidazo[1,2-b]pyridazin-7-yl]-2-methoxyethyl]-5,5-difluoro-1,3-diazinan-2-one;dihydrochloride
CID 175903408
N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-ethoxy-1-[2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175417861
N-[(4,4-difluorocyclohexyl)-[7-[1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-(1,1,2,2,2-pentadeuterioethyl)pyrazole-3-carboxamide
CID 168729751
N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 178028510
CID 174062206
CID 174062206
4-[(1S)-4,4,4-trifluoro-1-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]-3,3-dimethylbutyl]-1,2,5-oxadiazole-3-carboxamide
CID 176618736
N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(4-fluoro-3-methylphenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 178028356

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 168729892) is N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is COC[C@H](c1cnn2cc([C@H](CCC(C)(C)C(C)(F)F)NC(=O)c3nonc3C)nc2c1)N1CC(F)(F)CNC1=O.
What is the InChIKey of N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WVGIORDVHLSYIB-FUHWJXTLSA-N. The full InChI is InChI=1S/C25H32F4N8O4/c1-14-20(35-41-34-14)21(38)33-16(6-7-23(2,3)24(4,26)27)17-10-37-19(32-17)8-15(9-31-37)18(11-40-5)36-13-25(28,29)12-30-22(36)39/h8-10,16,18H,6-7,11-13H2,1-5H3,(H,30,39)(H,33,38)/t16-,18+/m0/s1.
What are the key properties of N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 584.58 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[7-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]imidazo[1,2-b]pyridazin-2-yl]-5,5-difluoro-4,4-dimethylhexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 168729892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).