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

C19H20ClN3 — CID 6538797

IUPAC6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(-c2[nH]c3nccnc3c2CC2CCCCC2)cc1
InChIInChI=1S/C19H20ClN3/c20-15-8-6-14(7-9-15)17-16(12-13-4-2-1-3-5-13)18-19(23-17)22-11-10-21-18/h6-11,13H,1-5,12H2,(H,22,23)
InChIKeyVFPIRSDEIXZQJN-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.40
Rot. Bonds3

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

6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538797) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538797
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(-c2[nH]c3nccnc3c2CC2CCCCC2)cc1
InChIInChI=1S/C19H20ClN3/c20-15-8-6-14(7-9-15)17-16(12-13-4-2-1-3-5-13)18-19(23-17)22-11-10-21-18/h6-11,13H,1-5,12H2,(H,22,23)
InChIKeyVFPIRSDEIXZQJN-UHFFFAOYSA-N
XLogP5.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538797) is 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine is Clc1ccc(-c2[nH]c3nccnc3c2CC2CCCCC2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is VFPIRSDEIXZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c20-15-8-6-14(7-9-15)17-16(12-13-4-2-1-3-5-13)18-19(23-17)22-11-10-21-18/h6-11,13H,1-5,12H2,(H,22,23).
What are the key properties of 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine?
6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 325.84 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(cyclohexylmethyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).