tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate

C24H30FN3O5 — CID 86636498

IUPACtert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate
SMILESCCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1c(C)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C24H30FN3O5/c1-6-17(21-15(2)14-26-28(23(21)32)16-10-8-7-9-11-16)22(31)27-18(19(29)13-25)12-20(30)33-24(3,4)5/h7-11,14,17-18H,6,12-13H2,1-5H3,(H,27,31)
InChIKeyZLPDSXSTKXOFHY-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.79
Rot. Bonds9

About tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate

tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate (PubChem CID 86636498) has the molecular formula C24H30FN3O5 and a molecular weight of 459.52 g/mol. Its IUPAC name is tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate
PubChem CID86636498
Molecular FormulaC24H30FN3O5
Molecular Weight459.52 g/mol
Exact Mass459.22
IUPAC Nametert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate
SMILESCCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1c(C)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C24H30FN3O5/c1-6-17(21-15(2)14-26-28(23(21)32)16-10-8-7-9-11-16)22(31)27-18(19(29)13-25)12-20(30)33-24(3,4)5/h7-11,14,17-18H,6,12-13H2,1-5H3,(H,27,31)
InChIKeyZLPDSXSTKXOFHY-UHFFFAOYSA-N
XLogP2.79
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate 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

tert-butyl 3-[2-(2-benzyl-5-methyl-3-oxopyridazin-4-yl)butanoylamino]-5-fluoro-4-hydroxypentanoate
CID 68975114
tert-butyl 5-fluoro-3-[2-[2-(naphthalen-2-ylmethyl)-3-oxopyridazin-4-yl]butanoylamino]-4-oxopentanoate
CID 87641847
5-fluoro-3-[2-[4-methyl-2-oxo-1-(2-phenylethenyl)-3-pyridinyl]butanoylamino]-4-oxopentanoic acid
CID 174599925
tert-butyl 5-fluoro-4-oxo-3-[2-(1-oxoisoquinolin-2-yl)pentanoylamino]pentanoate
CID 59355232
4-[2-(2-benzyl-5-methyl-3-oxopyridazin-4-yl)hexanoylamino]-6-fluoro-2-methyl-5-oxohexanoic acid
CID 143620687
tert-butyl (3S)-3-[2-[2-[(2-tert-butylphenyl)methyl]-3-oxopyridazin-4-yl]butanoylamino]-5-(2,6-difluorophenoxy)-4-oxopentanoate
CID 68976969
tert-butyl 5-fluoro-4-oxo-3-[[(2S)-2-(1-oxo-4H-isoquinolin-2-ium-2-yl)pentanoyl]amino]pentanoate
CID 90705299
3-[2-[2-[(3-tert-butylphenyl)methyl]-3-oxopyridazin-4-yl]butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 24763135
tert-butyl 5-fluoro-3-[[(2S)-3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoyl]amino]-4-oxopentanoate
CID 86584009
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-O-tert-butyl 1-O-ethyl 2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate
CID 71052828
tert-butyl 4-oxo-3-[2-(1-oxoisoquinolin-2-yl)butanoylamino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
CID 85090607

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate?
The IUPAC name of tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate (CID 86636498) is tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate.
What is the SMILES notation for tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate?
The canonical SMILES for tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate is CCC(C(=O)NC(CC(=O)OC(C)(C)C)C(=O)CF)c1c(C)cnn(-c2ccccc2)c1=O.
What is the InChIKey of tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate?
The InChIKey is ZLPDSXSTKXOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O5/c1-6-17(21-15(2)14-26-28(23(21)32)16-10-8-7-9-11-16)22(31)27-18(19(29)13-25)12-20(30)33-24(3,4)5/h7-11,14,17-18H,6,12-13H2,1-5H3,(H,27,31).
What are the key properties of tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate?
tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate has a molecular weight of 459.52 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluoro-3-[2-(5-methyl-3-oxo-2-phenylpyridazin-4-yl)butanoylamino]-4-oxopentanoate is sourced from PubChem (CID 86636498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).