7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

C20H23N3O — CID 6538790

IUPAC7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2[nH]c3nccnc3c2CC2CCCCC2)cc1
InChIInChI=1S/C20H23N3O/c1-24-16-9-7-15(8-10-16)18-17(13-14-5-3-2-4-6-14)19-20(23-18)22-12-11-21-19/h7-12,14H,2-6,13H2,1H3,(H,22,23)
InChIKeyKSMRAMWQJUGFSL-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.76
Rot. Bonds4

About 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538790) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538790
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCOc1ccc(-c2[nH]c3nccnc3c2CC2CCCCC2)cc1
InChIInChI=1S/C20H23N3O/c1-24-16-9-7-15(8-10-16)18-17(13-14-5-3-2-4-6-14)19-20(23-18)22-12-11-21-19/h7-12,14H,2-6,13H2,1H3,(H,22,23)
InChIKeyKSMRAMWQJUGFSL-UHFFFAOYSA-N
XLogP4.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-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 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538790) is 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is COc1ccc(-c2[nH]c3nccnc3c2CC2CCCCC2)cc1.
What is the InChIKey of 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is KSMRAMWQJUGFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-24-16-9-7-15(8-10-16)18-17(13-14-5-3-2-4-6-14)19-20(23-18)22-12-11-21-19/h7-12,14H,2-6,13H2,1H3,(H,22,23).
What are the key properties of 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 321.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).