N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide

C25H23F3N4O5 — CID 162437928

IUPACN-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCCn1nccc(N2C[C@@H](c3ccc(OC)cc3)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c1=O
InChIInChI=1S/C25H23F3N4O5/c1-3-32-23(34)20(12-13-29-32)31-14-19(15-4-8-17(36-2)9-5-15)21(24(31)35)30-22(33)16-6-10-18(11-7-16)37-25(26,27)28/h4-13,19,21H,3,14H2,1-2H3,(H,30,33)/t19-,21?/m0/s1
InChIKeyJPXJZUXQGBUFCH-ZQRQZVKFSA-N
MW516.48 g/mol
LogP3.10
Rot. Bonds7

About N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide

N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 162437928) has the molecular formula C25H23F3N4O5 and a molecular weight of 516.48 g/mol. Its IUPAC name is N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
PubChem CID162437928
Molecular FormulaC25H23F3N4O5
Molecular Weight516.48 g/mol
Exact Mass516.16
IUPAC NameN-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCCn1nccc(N2C[C@@H](c3ccc(OC)cc3)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c1=O
InChIInChI=1S/C25H23F3N4O5/c1-3-32-23(34)20(12-13-29-32)31-14-19(15-4-8-17(36-2)9-5-15)21(24(31)35)30-22(33)16-6-10-18(11-7-16)37-25(26,27)28/h4-13,19,21H,3,14H2,1-2H3,(H,30,33)/t19-,21?/m0/s1
InChIKeyJPXJZUXQGBUFCH-ZQRQZVKFSA-N
XLogP3.10
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319322
N-[(4R)-1-[1-(2,2-difluoroethyl)-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 162437871
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319281
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-(2-morpholin-4-ylethyl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169318954
N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(3-fluoro-2-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 166933824
N-[(3S,4R)-4-(2-fluoro-4-methoxyphenyl)-1-[1-(1-hydroxy-3-methoxypropan-2-yl)-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319040
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319405
N-[(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 166933864
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethyl-2-oxo-3-pyridinyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 169319085
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[5-fluoro-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319061
N-[(4R)-1-[1-(1,1-difluoro-2-hydroxyethyl)-4-methyl-2-oxo-3-pyridinyl]-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 166933783
N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[3-fluoro-6-(2-methyl-5-oxomorpholin-4-yl)-2-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 169319248

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (CID 162437928) is N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is CCn1nccc(N2C[C@@H](c3ccc(OC)cc3)C(NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c1=O.
What is the InChIKey of N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is JPXJZUXQGBUFCH-ZQRQZVKFSA-N. The full InChI is InChI=1S/C25H23F3N4O5/c1-3-32-23(34)20(12-13-29-32)31-14-19(15-4-8-17(36-2)9-5-15)21(24(31)35)30-22(33)16-6-10-18(11-7-16)37-25(26,27)28/h4-13,19,21H,3,14H2,1-2H3,(H,30,33)/t19-,21?/m0/s1.
What are the key properties of N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?
N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 516.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-ethyl-3-oxopyridazin-4-yl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162437928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).