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

C25H30N6O2 — CID 73056533

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(C5CCN(C)CC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C25H30N6O2/c1-30-8-6-20(7-9-30)31-16-18(14-27-31)23-13-24-25(29-23)26-15-19(28-24)5-4-17-10-21(32-2)12-22(11-17)33-3/h10-16,20H,4-9H2,1-3H3,(H,26,29)
InChIKeyYMZSRXUTAORHNL-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.89
Rot. Bonds7

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

2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73056533) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73056533
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(C5CCN(C)CC5)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C25H30N6O2/c1-30-8-6-20(7-9-30)31-16-18(14-27-31)23-13-24-25(29-23)26-15-19(28-24)5-4-17-10-21(32-2)12-22(11-17)33-3/h10-16,20H,4-9H2,1-3H3,(H,26,29)
InChIKeyYMZSRXUTAORHNL-UHFFFAOYSA-N
XLogP3.89
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine (CID 73056533) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4cnn(C5CCN(C)CC5)c4)cc3n2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is YMZSRXUTAORHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-30-8-6-20(7-9-30)31-16-18(14-27-31)23-13-24-25(29-23)26-15-19(28-24)5-4-17-10-21(32-2)12-22(11-17)33-3/h10-16,20H,4-9H2,1-3H3,(H,26,29).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(3,5-dimethoxyphenyl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 446.56 g/mol, XLogP of 3.89, 7 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-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73056533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).