7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine

C21H20N4O2 — CID 66556877

IUPAC7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine
SMILESc1ccc2c(-c3cc4nccnc4c(OC[C@H]4CCCNC4)n3)coc2c1
InChIInChI=1S/C21H20N4O2/c1-2-6-19-15(5-1)16(13-26-19)17-10-18-20(24-9-8-23-18)21(25-17)27-12-14-4-3-7-22-11-14/h1-2,5-6,8-10,13-14,22H,3-4,7,11-12H2/t14-/m0/s1
InChIKeyWZDRDWSGBNBXTI-AWEZNQCLSA-N
MW360.42 g/mol
LogP3.82
Rot. Bonds4

About 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine

7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine (PubChem CID 66556877) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine
PubChem CID66556877
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine
SMILESc1ccc2c(-c3cc4nccnc4c(OC[C@H]4CCCNC4)n3)coc2c1
InChIInChI=1S/C21H20N4O2/c1-2-6-19-15(5-1)16(13-26-19)17-10-18-20(24-9-8-23-18)21(25-17)27-12-14-4-3-7-22-11-14/h1-2,5-6,8-10,13-14,22H,3-4,7,11-12H2/t14-/m0/s1
InChIKeyWZDRDWSGBNBXTI-AWEZNQCLSA-N
XLogP3.82
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
The IUPAC name of 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine (CID 66556877) is 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
The canonical SMILES for 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine is c1ccc2c(-c3cc4nccnc4c(OC[C@H]4CCCNC4)n3)coc2c1.
What is the InChIKey of 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
The InChIKey is WZDRDWSGBNBXTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-6-19-15(5-1)16(13-26-19)17-10-18-20(24-9-8-23-18)21(25-17)27-12-14-4-3-7-22-11-14/h1-2,5-6,8-10,13-14,22H,3-4,7,11-12H2/t14-/m0/s1.
What are the key properties of 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine has a molecular weight of 360.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 66556877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).