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

C17H21ClN6O — CID 86706998

IUPAC7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
SMILESCl.Cn1cc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C17H20N6O.ClH/c1-23-10-13(9-21-23)14-7-15-16(20-6-5-19-15)17(22-14)24-11-12-3-2-4-18-8-12;/h5-7,9-10,12,18H,2-4,8,11H2,1H3;1H/t12-;/m0./s1
InChIKeyAMVHHDXUYOJQOD-YDALLXLXSA-N
MW360.85 g/mol
LogP2.23
Rot. Bonds4

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

7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride (PubChem CID 86706998) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
PubChem CID86706998
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
SMILESCl.Cn1cc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C17H20N6O.ClH/c1-23-10-13(9-21-23)14-7-15-16(20-6-5-19-15)17(22-14)24-11-12-3-2-4-18-8-12;/h5-7,9-10,12,18H,2-4,8,11H2,1H3;1H/t12-;/m0./s1
InChIKeyAMVHHDXUYOJQOD-YDALLXLXSA-N
XLogP2.23
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride (CID 86706998) is 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride is Cl.Cn1cc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride?
The InChIKey is AMVHHDXUYOJQOD-YDALLXLXSA-N. The full InChI is InChI=1S/C17H20N6O.ClH/c1-23-10-13(9-21-23)14-7-15-16(20-6-5-19-15)17(22-14)24-11-12-3-2-4-18-8-12;/h5-7,9-10,12,18H,2-4,8,11H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride?
7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride is sourced from PubChem (CID 86706998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).