tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate

C25H30N4O5 — CID 71565405

IUPACtert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)n1c(=O)c(-c2ccc(NC(=O)OC(C)(C)C)cc2)nc2cccnc21
InChIInChI=1S/C25H30N4O5/c1-15(22(31)33-24(2,3)4)29-20-18(9-8-14-26-20)28-19(21(29)30)16-10-12-17(13-11-16)27-23(32)34-25(5,6)7/h8-15H,1-7H3,(H,27,32)/t15-/m0/s1
InChIKeyVEXHWVPJXLUVSJ-HNNXBMFYSA-N
MW466.54 g/mol
LogP4.71
Rot. Bonds4

About tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate

tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate (PubChem CID 71565405) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate
PubChem CID71565405
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Nametert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)n1c(=O)c(-c2ccc(NC(=O)OC(C)(C)C)cc2)nc2cccnc21
InChIInChI=1S/C25H30N4O5/c1-15(22(31)33-24(2,3)4)29-20-18(9-8-14-26-20)28-19(21(29)30)16-10-12-17(13-11-16)27-23(32)34-25(5,6)7/h8-15H,1-7H3,(H,27,32)/t15-/m0/s1
InChIKeyVEXHWVPJXLUVSJ-HNNXBMFYSA-N
XLogP4.71
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl (2S)-2-(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)propanoate
CID 71565374
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CID 46393790
tert-butyl N-[4-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120449
N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393780
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[3-[2-(2,4-dihydroxy-5-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]carbamate
CID 178120469
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea
CID 58317775
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-[5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxo-3-pyridin-2-ylpentanoyl]phenyl]carbamate
CID 102519142

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate?
The IUPAC name of tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate (CID 71565405) is tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate is C[C@@H](C(=O)OC(C)(C)C)n1c(=O)c(-c2ccc(NC(=O)OC(C)(C)C)cc2)nc2cccnc21.
What is the InChIKey of tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate?
The InChIKey is VEXHWVPJXLUVSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-15(22(31)33-24(2,3)4)29-20-18(9-8-14-26-20)28-19(21(29)30)16-10-12-17(13-11-16)27-23(32)34-25(5,6)7/h8-15H,1-7H3,(H,27,32)/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate?
tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate has a molecular weight of 466.54 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxopyrido[2,3-b]pyrazin-4-yl]propanoate is sourced from PubChem (CID 71565405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).