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

C21H21ClN4O2 — CID 66556876

IUPAC7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
SMILESCl.c1ccc2c(-c3cc4nccnc4c(OC[C@H]4CCCNC4)n3)coc2c1
InChIInChI=1S/C21H20N4O2.ClH/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;1H/t14-;/m0./s1
InChIKeyISBAZOBFMKECCO-UQKRIMTDSA-N
MW396.88 g/mol
LogP4.24
Rot. Bonds4

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

7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride (PubChem CID 66556876) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride.

Molecular Properties

Compound Name7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
PubChem CID66556876
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
SMILESCl.c1ccc2c(-c3cc4nccnc4c(OC[C@H]4CCCNC4)n3)coc2c1
InChIInChI=1S/C21H20N4O2.ClH/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;1H/t14-;/m0./s1
InChIKeyISBAZOBFMKECCO-UQKRIMTDSA-N
XLogP4.24
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.24
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;hydrochloride?
The IUPAC name of 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride (CID 66556876) is 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride.
What is the SMILES notation for 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride?
The canonical SMILES for 7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is ISBAZOBFMKECCO-UQKRIMTDSA-N. The full InChI is InChI=1S/C21H20N4O2.ClH/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;1H/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;hydrochloride?
7-(1-benzofuran-3-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride has a molecular weight of 396.88 g/mol, XLogP of 4.24, 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;hydrochloride is sourced from PubChem (CID 66556876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).