N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

C25H26F3N7O5 — CID 178028323

IUPACN-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1nonc1C(=O)N[C@H](C(=O)Nc1cc([C@@H](COC)N2CC(F)(F)CNC2=O)ccn1)c1cccc(F)c1
InChIInChI=1S/C25H26F3N7O5/c1-3-17-21(34-40-33-17)23(37)32-20(15-5-4-6-16(26)9-15)22(36)31-19-10-14(7-8-29-19)18(11-39-2)35-13-25(27,28)12-30-24(35)38/h4-10,18,20H,3,11-13H2,1-2H3,(H,30,38)(H,32,37)(H,29,31,36)/t18-,20+/m1/s1
InChIKeyFFAXBEWWVRYHCL-QUCCMNQESA-N
MW561.52 g/mol
LogP2.62
Rot. Bonds10

About N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 178028323) has the molecular formula C25H26F3N7O5 and a molecular weight of 561.52 g/mol. Its IUPAC name is N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID178028323
Molecular FormulaC25H26F3N7O5
Molecular Weight561.52 g/mol
Exact Mass561.19
IUPAC NameN-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1nonc1C(=O)N[C@H](C(=O)Nc1cc([C@@H](COC)N2CC(F)(F)CNC2=O)ccn1)c1cccc(F)c1
InChIInChI=1S/C25H26F3N7O5/c1-3-17-21(34-40-33-17)23(37)32-20(15-5-4-6-16(26)9-15)22(36)31-19-10-14(7-8-29-19)18(11-39-2)35-13-25(27,28)12-30-24(35)38/h4-10,18,20H,3,11-13H2,1-2H3,(H,30,38)(H,32,37)(H,29,31,36)/t18-,20+/m1/s1
InChIKeyFFAXBEWWVRYHCL-QUCCMNQESA-N
XLogP2.62
TPSA151.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.52
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

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
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
N-[(1S)-1-(4-chloro-3-methylphenyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-4-ethyl-1,2-oxazole-3-carboxamide
CID 178028431
2-ethyl-N-[(1S)-1-(3-fluorophenyl)-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 178028554
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 171790788
2-aminoacetaldehyde;benzene;5,5-difluoro-1-[2-methoxy-1-[2-(methylamino)-4-pyridinyl]ethyl]-1,3-diazinan-2-one
CID 178028314
1-chloro-2-methylbenzene;5,5-difluoro-1-[2-methoxy-1-[2-(methylamino)-4-pyridinyl]ethyl]-1,3-diazinan-2-one;4-methyl-N-(2-oxoethyl)-1,2-oxazole-3-carboxamide
CID 178028460
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
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
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 178028393
N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide
CID 171790493
N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide
CID 178028496

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (CID 178028323) is N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is CCc1nonc1C(=O)N[C@H](C(=O)Nc1cc([C@@H](COC)N2CC(F)(F)CNC2=O)ccn1)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FFAXBEWWVRYHCL-QUCCMNQESA-N. The full InChI is InChI=1S/C25H26F3N7O5/c1-3-17-21(34-40-33-17)23(37)32-20(15-5-4-6-16(26)9-15)22(36)31-19-10-14(7-8-29-19)18(11-39-2)35-13-25(27,28)12-30-24(35)38/h4-10,18,20H,3,11-13H2,1-2H3,(H,30,38)(H,32,37)(H,29,31,36)/t18-,20+/m1/s1.
What are the key properties of N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?
N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 561.52 g/mol, XLogP of 2.62, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-1-(3-fluorophenyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 178028323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).