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

C24H23N5O2 — CID 73057762

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4ccc5c(cnn5C)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C24H23N5O2/c1-29-23-7-5-16(10-17(23)13-26-29)21-12-22-24(28-21)25-14-18(27-22)6-4-15-8-19(30-2)11-20(9-15)31-3/h5,7-14H,4,6H2,1-3H3,(H,25,28)
InChIKeyLQPDWYXDVCSMNU-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.31
Rot. Bonds6

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

2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 73057762) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID73057762
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1cc(CCc2cnc3[nH]c(-c4ccc5c(cnn5C)c4)cc3n2)cc(OC)c1
InChIInChI=1S/C24H23N5O2/c1-29-23-7-5-16(10-17(23)13-26-29)21-12-22-24(28-21)25-14-18(27-22)6-4-15-8-19(30-2)11-20(9-15)31-3/h5,7-14H,4,6H2,1-3H3,(H,25,28)
InChIKeyLQPDWYXDVCSMNU-UHFFFAOYSA-N
XLogP4.31
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-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-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine (CID 73057762) is 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine is COc1cc(CCc2cnc3[nH]c(-c4ccc5c(cnn5C)c4)cc3n2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is LQPDWYXDVCSMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-29-23-7-5-16(10-17(23)13-26-29)21-12-22-24(28-21)25-14-18(27-22)6-4-15-8-19(30-2)11-20(9-15)31-3/h5,7-14H,4,6H2,1-3H3,(H,25,28).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine?
2-[2-(3,5-dimethoxyphenyl)ethyl]-6-(1-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 413.48 g/mol, XLogP of 4.31, 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-methylindazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 73057762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).