2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine

C18H27N5O — CID 125006603

IUPAC2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
SMILESCOCCN1CCC[C@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1
InChIInChI=1S/C18H27N5O/c1-14(2)23-13-16(9-20-23)18-11-19-10-17(21-18)15-5-4-6-22(12-15)7-8-24-3/h9-11,13-15H,4-8,12H2,1-3H3/t15-/m0/s1
InChIKeyUHKWEJWPIVDZAV-HNNXBMFYSA-N
MW329.45 g/mol
LogP2.75
Rot. Bonds6

About 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine

2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine (PubChem CID 125006603) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
PubChem CID125006603
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine
SMILESCOCCN1CCC[C@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1
InChIInChI=1S/C18H27N5O/c1-14(2)23-13-16(9-20-23)18-11-19-10-17(21-18)15-5-4-6-22(12-15)7-8-24-3/h9-11,13-15H,4-8,12H2,1-3H3/t15-/m0/s1
InChIKeyUHKWEJWPIVDZAV-HNNXBMFYSA-N
XLogP2.75
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine (CID 125006603) is 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine is COCCN1CCC[C@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1.
What is the InChIKey of 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
The InChIKey is UHKWEJWPIVDZAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-14(2)23-13-16(9-20-23)18-11-19-10-17(21-18)15-5-4-6-22(12-15)7-8-24-3/h9-11,13-15H,4-8,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine?
2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine has a molecular weight of 329.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 125006603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).