tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate

C25H30N4O6 — CID 67345923

IUPACtert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate
SMILESCOc1cc(-c2cnc3[nH]cc(C(=O)C4CCN(C(=O)OC(C)(C)C)C4)c3n2)cc(OC)c1OC
InChIInChI=1S/C25H30N4O6/c1-25(2,3)35-24(31)29-8-7-14(13-29)21(30)16-11-26-23-20(16)28-17(12-27-23)15-9-18(32-4)22(34-6)19(10-15)33-5/h9-12,14H,7-8,13H2,1-6H3,(H,26,27)
InChIKeyZKZWHPWYBNAXNR-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.09
Rot. Bonds6

About tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate

tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 67345923) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate
PubChem CID67345923
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Nametert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate
SMILESCOc1cc(-c2cnc3[nH]cc(C(=O)C4CCN(C(=O)OC(C)(C)C)C4)c3n2)cc(OC)c1OC
InChIInChI=1S/C25H30N4O6/c1-25(2,3)35-24(31)29-8-7-14(13-29)21(30)16-11-26-23-20(16)28-17(12-27-23)15-9-18(32-4)22(34-6)19(10-15)33-5/h9-12,14H,7-8,13H2,1-6H3,(H,26,27)
InChIKeyZKZWHPWYBNAXNR-UHFFFAOYSA-N
XLogP4.09
TPSA115.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl [3-[[[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]pyrrolidin-1-yl] carbonate
CID 67374113
tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-methylamino]piperidine-1-carboxylate
CID 146365561
[3-methyl-3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174623806
3-methyl-3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]piperidine-1-carboxylic acid
CID 140555515
tert-butyl 3-(5-chloro-2-methoxybenzoyl)pyrrolidine-1-carboxylate
CID 107091953
3-methyl-1-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)butan-1-one;2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 68636684
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
CID 141340830
tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate
CID 144855565
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
3-[hydroxy-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methyl]-3-methylpiperidine-1-carboxylic acid
CID 140555523
tert-butyl 3-(1-methylpyrazole-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate (CID 67345923) is tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate is COc1cc(-c2cnc3[nH]cc(C(=O)C4CCN(C(=O)OC(C)(C)C)C4)c3n2)cc(OC)c1OC.
What is the InChIKey of tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is ZKZWHPWYBNAXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-25(2,3)35-24(31)29-8-7-14(13-29)21(30)16-11-26-23-20(16)28-17(12-27-23)15-9-18(32-4)22(34-6)19(10-15)33-5/h9-12,14H,7-8,13H2,1-6H3,(H,26,27).
What are the key properties of tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67345923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).