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

C23H21N5O2 — CID 73058326

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4ccc5[nH]ncc5c4)cc3n2)cc(OC)c1
InChIInChI=1S/C23H21N5O2/c1-29-18-7-14(8-19(10-18)30-2)3-5-17-13-24-23-22(26-17)11-21(27-23)15-4-6-20-16(9-15)12-25-28-20/h4,6-13H,3,5H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKFFXXQDTVSLFCG-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.30
Rot. Bonds6

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

2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73058326) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73058326
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4ccc5[nH]ncc5c4)cc3n2)cc(OC)c1
InChIInChI=1S/C23H21N5O2/c1-29-18-7-14(8-19(10-18)30-2)3-5-17-13-24-23-22(26-17)11-21(27-23)15-4-6-20-16(9-15)12-25-28-20/h4,6-13H,3,5H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKFFXXQDTVSLFCG-UHFFFAOYSA-N
XLogP4.30
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 73058326) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4ccc5[nH]ncc5c4)cc3n2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is KFFXXQDTVSLFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-29-18-7-14(8-19(10-18)30-2)3-5-17-13-24-23-22(26-17)11-21(27-23)15-4-6-20-16(9-15)12-25-28-20/h4,6-13H,3,5H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 399.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1H-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73058326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).