tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate

C21H31N5O4 — CID 144855565

IUPACtert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C21H31N5O4/c1-20(2,3)25-18(27)14-11-22-17-16(14)24-15(12-23-17)29-13-7-9-26(10-8-13)19(28)30-21(4,5)6/h11-13H,7-10H2,1-6H3,(H,22,23)(H,25,27)
InChIKeyODOZDWFBVPDPPC-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.26
Rot. Bonds3

About tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate (PubChem CID 144855565) has the molecular formula C21H31N5O4 and a molecular weight of 417.51 g/mol. Its IUPAC name is tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate
PubChem CID144855565
Molecular FormulaC21H31N5O4
Molecular Weight417.51 g/mol
Exact Mass417.24
IUPAC Nametert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C21H31N5O4/c1-20(2,3)25-18(27)14-11-22-17-16(14)24-15(12-23-17)29-13-7-9-26(10-8-13)19(28)30-21(4,5)6/h11-13H,7-10H2,1-6H3,(H,22,23)(H,25,27)
InChIKeyODOZDWFBVPDPPC-UHFFFAOYSA-N
XLogP3.26
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673749
tert-butyl 4-[[7-(cyclobutanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-methylamino]piperidine-1-carboxylate
CID 146365561
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349
tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate
CID 170743529
N-[[(1R)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 175794637
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate
CID 68604832
N-[[(1S,2R)-2-fluoro-1-hydroxycyclohexyl]methyl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122683070
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl 4-[(5-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylate
CID 90288728
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate (CID 144855565) is tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate is CC(C)(C)NC(=O)c1c[nH]c2ncc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc12.
What is the InChIKey of tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate?
The InChIKey is ODOZDWFBVPDPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O4/c1-20(2,3)25-18(27)14-11-22-17-16(14)24-15(12-23-17)29-13-7-9-26(10-8-13)19(28)30-21(4,5)6/h11-13H,7-10H2,1-6H3,(H,22,23)(H,25,27).
What are the key properties of tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 144855565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).