tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate

C22H23N5O3 — CID 167350834

IUPACtert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3c[nH]c4c(C#N)cccc34)cn2)C1
InChIInChI=1S/C22H23N5O3/c1-22(2,3)30-21(28)27-8-7-15(13-27)29-19-12-24-18(11-25-19)17-10-26-20-14(9-23)5-4-6-16(17)20/h4-6,10-12,15,26H,7-8,13H2,1-3H3
InChIKeyZEZDZZDQDLTKQM-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.88
Rot. Bonds3

About tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate

tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate (PubChem CID 167350834) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
PubChem CID167350834
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Nametert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3c[nH]c4c(C#N)cccc34)cn2)C1
InChIInChI=1S/C22H23N5O3/c1-22(2,3)30-21(28)27-8-7-15(13-27)29-19-12-24-18(11-25-19)17-10-26-20-14(9-23)5-4-6-16(17)20/h4-6,10-12,15,26H,7-8,13H2,1-3H3
InChIKeyZEZDZZDQDLTKQM-UHFFFAOYSA-N
XLogP3.88
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(1-acetylpyrrolidin-3-yl)oxy-6-(trifluoromethyl)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350931
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
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tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
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tert-butyl (3S)-3-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-6-yl)oxy]pyrrolidine-1-carboxylate
CID 166538422
3-[6-ethyl-5-(1-iodopyrrolidin-3-yl)oxypyrazin-2-yl]-1H-indole-7-carbonitrile
CID 170365334
tert-butyl 3-(3-cyanoisoquinolin-1-yl)oxypyrrolidine-1-carboxylate;ethane
CID 145378880
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
tert-butyl 3-[(2-chloro-6-cyanophenyl)methoxy]pyrrolidine-1-carboxylate
CID 68928997
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
tert-butyl (3S)-3-[(5-phenylmethoxy-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134579999
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate (CID 167350834) is tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cnc(-c3c[nH]c4c(C#N)cccc34)cn2)C1.
What is the InChIKey of tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate?
The InChIKey is ZEZDZZDQDLTKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-22(2,3)30-21(28)27-8-7-15(13-27)29-19-12-24-18(11-25-19)17-10-26-20-14(9-23)5-4-6-16(17)20/h4-6,10-12,15,26H,7-8,13H2,1-3H3.
What are the key properties of tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate?
tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate has a molecular weight of 405.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(7-cyano-1H-indol-3-yl)pyrazin-2-yl]oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 167350834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).