5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine

C18H21N7O — CID 10247381

IUPAC5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
SMILESCOc1cnc(Cn2ccnc2-c2ncccn2)c(N2CCCCC2)n1
InChIInChI=1S/C18H21N7O/c1-26-15-12-22-14(17(23-15)24-9-3-2-4-10-24)13-25-11-8-21-18(25)16-19-6-5-7-20-16/h5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyTXGQGDXQLYLQEQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.18
Rot. Bonds5

About 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine

5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine (PubChem CID 10247381) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
PubChem CID10247381
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
SMILESCOc1cnc(Cn2ccnc2-c2ncccn2)c(N2CCCCC2)n1
InChIInChI=1S/C18H21N7O/c1-26-15-12-22-14(17(23-15)24-9-3-2-4-10-24)13-25-11-8-21-18(25)16-19-6-5-7-20-16/h5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyTXGQGDXQLYLQEQ-UHFFFAOYSA-N
XLogP2.18
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
The IUPAC name of 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine (CID 10247381) is 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine.
What is the SMILES notation for 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
The canonical SMILES for 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine is COc1cnc(Cn2ccnc2-c2ncccn2)c(N2CCCCC2)n1.
What is the InChIKey of 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
The InChIKey is TXGQGDXQLYLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-26-15-12-22-14(17(23-15)24-9-3-2-4-10-24)13-25-11-8-21-18(25)16-19-6-5-7-20-16/h5-8,11-12H,2-4,9-10,13H2,1H3.
What are the key properties of 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine?
5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine has a molecular weight of 351.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine is sourced from PubChem (CID 10247381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).