tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate

C28H32N4O5 — CID 175993644

IUPACtert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate
SMILESC[C@@H](Nc1ncc(N2CCOCC2)n(CC(=O)OC(C)(C)C)c1=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H32N4O5/c1-18(19-9-10-23-21(15-19)20-7-5-6-8-22(20)36-23)30-26-27(34)32(17-25(33)37-28(2,3)4)24(16-29-26)31-11-13-35-14-12-31/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,29,30)/t18-/m1/s1
InChIKeyCKNBXRBKPMMFNK-GOSISDBHSA-N
MW504.59 g/mol
LogP4.49
Rot. Bonds6

About tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate

tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate (PubChem CID 175993644) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate
PubChem CID175993644
Molecular FormulaC28H32N4O5
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC Nametert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate
SMILESC[C@@H](Nc1ncc(N2CCOCC2)n(CC(=O)OC(C)(C)C)c1=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H32N4O5/c1-18(19-9-10-23-21(15-19)20-7-5-6-8-22(20)36-23)30-26-27(34)32(17-25(33)37-28(2,3)4)24(16-29-26)31-11-13-35-14-12-31/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,29,30)/t18-/m1/s1
InChIKeyCKNBXRBKPMMFNK-GOSISDBHSA-N
XLogP4.49
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate with MolForge

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Related Compounds

tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-(3,6-dihydro-2H-pyran-4-yl)-2-oxopyrazin-1-yl]acetate
CID 176891355
2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide
CID 175993488
tert-butyl 2-[5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-2-(methoxymethyl)-6-oxopyrimidin-1-yl]acetate
CID 175993636
butyl 4-[5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxopyrimidin-2-yl]piperazine-1-carboxylate
CID 175993501
tert-butyl 2-[5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-oxo-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrimidin-1-yl]acetate
CID 176891349
tert-butyl 2-[2-[4-(7-azidoheptoxy)phenyl]-5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-oxopyrimidin-1-yl]acetate
CID 170789121
tert-butyl 2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetate
CID 170789795
ethyl 2-[5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-2-(2-methylphenyl)-6-oxopyrimidin-1-yl]acetate
CID 170790132
tert-butyl 2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetate;2-[5-(dibenzofuran-2-ylmethylamino)-2-(3-fluoroazetidin-1-yl)-6-oxopyrimidin-1-yl]acetic acid
CID 175993589
butyl 2-[5-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-oxo-2-(1H-pyrazol-4-yl)pyrimidin-1-yl]acetate
CID 175993414
5-(1-dibenzofuran-2-ylethylamino)-2-[(E)-2-methyl-1-sulfanylbut-1-enyl]-3-(2-oxopropyl)pyrimidin-4-one
CID 170789530
tert-butyl 2-[4-[[(1R)-1-(3-heptoxyphenyl)ethyl]amino]-6-morpholin-4-ylquinazolin-8-yl]oxyacetate
CID 174192508

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate (CID 175993644) is tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate is C[C@@H](Nc1ncc(N2CCOCC2)n(CC(=O)OC(C)(C)C)c1=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate?
The InChIKey is CKNBXRBKPMMFNK-GOSISDBHSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-18(19-9-10-23-21(15-19)20-7-5-6-8-22(20)36-23)30-26-27(34)32(17-25(33)37-28(2,3)4)24(16-29-26)31-11-13-35-14-12-31/h5-10,15-16,18H,11-14,17H2,1-4H3,(H,29,30)/t18-/m1/s1.
What are the key properties of tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate?
tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate has a molecular weight of 504.59 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[[(1R)-1-dibenzofuran-2-ylethyl]amino]-6-morpholin-4-yl-2-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 175993644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).