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

C20H21N5O2 — CID 73056238

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(C)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C20H21N5O2/c1-25-12-14(10-22-25)18-9-19-20(24-18)21-11-15(23-19)5-4-13-6-16(26-2)8-17(7-13)27-3/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyGQFPDNJSMPAGFB-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.16
Rot. Bonds6

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

2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73056238) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73056238
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4cnn(C)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C20H21N5O2/c1-25-12-14(10-22-25)18-9-19-20(24-18)21-11-15(23-19)5-4-13-6-16(26-2)8-17(7-13)27-3/h6-12H,4-5H2,1-3H3,(H,21,24)
InChIKeyGQFPDNJSMPAGFB-UHFFFAOYSA-N
XLogP3.16
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 73056238) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4cnn(C)c4)cc3n2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GQFPDNJSMPAGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25-12-14(10-22-25)18-9-19-20(24-18)21-11-15(23-19)5-4-13-6-16(26-2)8-17(7-13)27-3/h6-12H,4-5H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 363.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73056238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).