2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine

C26H32N6O2 — CID 73056838

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(CCN5CCCCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C26H32N6O2/c1-33-22-12-19(13-23(14-22)34-2)6-7-21-17-27-26-25(29-21)15-24(30-26)20-16-28-32(18-20)11-10-31-8-4-3-5-9-31/h12-18H,3-11H2,1-2H3,(H,27,30)
InChIKeyVUAQIAMEBYMDOJ-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.11
Rot. Bonds9

About 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine

2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73056838) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73056838
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(CCN5CCCCC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C26H32N6O2/c1-33-22-12-19(13-23(14-22)34-2)6-7-21-17-27-26-25(29-21)15-24(30-26)20-16-28-32(18-20)11-10-31-8-4-3-5-9-31/h12-18H,3-11H2,1-2H3,(H,27,30)
InChIKeyVUAQIAMEBYMDOJ-UHFFFAOYSA-N
XLogP4.11
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (CID 73056838) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4cnn(CCN5CCCCC5)c4)cc3n2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is VUAQIAMEBYMDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-33-22-12-19(13-23(14-22)34-2)6-7-21-17-27-26-25(29-21)15-24(30-26)20-16-28-32(18-20)11-10-31-8-4-3-5-9-31/h12-18H,3-11H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 460.58 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73056838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).