3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate

C20H20N4O3 — CID 118436334

IUPAC3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2cnccn2)c2ccccc12
InChIInChI=1S/C20H20N4O3/c25-20(27-15-7-13-11-26-12-14(8-15)23-13)17-10-24(19-9-21-5-6-22-19)18-4-2-1-3-16(17)18/h1-6,9-10,13-15,23H,7-8,11-12H2
InChIKeyRNISLELCMCHBKK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.10
Rot. Bonds3

About 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate

3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate (PubChem CID 118436334) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate
PubChem CID118436334
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2cnccn2)c2ccccc12
InChIInChI=1S/C20H20N4O3/c25-20(27-15-7-13-11-26-12-14(8-15)23-13)17-10-24(19-9-21-5-6-22-19)18-4-2-1-3-16(17)18/h1-6,9-10,13-15,23H,7-8,11-12H2
InChIKeyRNISLELCMCHBKK-UHFFFAOYSA-N
XLogP2.10
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate (CID 118436334) is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate is O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnccn2)c2ccccc12.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate?
The InChIKey is RNISLELCMCHBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(27-15-7-13-11-26-12-14(8-15)23-13)17-10-24(19-9-21-5-6-22-19)18-4-2-1-3-16(17)18/h1-6,9-10,13-15,23H,7-8,11-12H2.
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate?
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-pyrazin-2-ylindole-3-carboxylate is sourced from PubChem (CID 118436334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).