6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine

C19H20ClN3 — CID 90761552

IUPAC6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1c(-c2ccc(Cl)cc2)[nH]c2ncc(C3CCCCC3)nc12
InChIInChI=1S/C19H20ClN3/c1-12-17(14-7-9-15(20)10-8-14)23-19-18(12)22-16(11-21-19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,21,23)
InChIKeyJLXXQIDWTSZJQX-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.63
Rot. Bonds2

About 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine

6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 90761552) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID90761552
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1c(-c2ccc(Cl)cc2)[nH]c2ncc(C3CCCCC3)nc12
InChIInChI=1S/C19H20ClN3/c1-12-17(14-7-9-15(20)10-8-14)23-19-18(12)22-16(11-21-19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,21,23)
InChIKeyJLXXQIDWTSZJQX-UHFFFAOYSA-N
XLogP5.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-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 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine (CID 90761552) is 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine is Cc1c(-c2ccc(Cl)cc2)[nH]c2ncc(C3CCCCC3)nc12.
What is the InChIKey of 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is JLXXQIDWTSZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-12-17(14-7-9-15(20)10-8-14)23-19-18(12)22-16(11-21-19)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,21,23).
What are the key properties of 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine?
6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 325.84 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-cyclohexyl-7-methyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 90761552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).