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

C16H16ClN3 — CID 6538794

IUPAC7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCCc1c(-c2ccc(Cl)cc2)[nH]c2nccnc12
InChIInChI=1S/C16H16ClN3/c1-2-3-4-13-14(11-5-7-12(17)8-6-11)20-16-15(13)18-9-10-19-16/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyGKGBCENYMVXALT-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.62
Rot. Bonds4

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

7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538794) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538794
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCCc1c(-c2ccc(Cl)cc2)[nH]c2nccnc12
InChIInChI=1S/C16H16ClN3/c1-2-3-4-13-14(11-5-7-12(17)8-6-11)20-16-15(13)18-9-10-19-16/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyGKGBCENYMVXALT-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538794) is 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine is CCCCc1c(-c2ccc(Cl)cc2)[nH]c2nccnc12.
What is the InChIKey of 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GKGBCENYMVXALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-3-4-13-14(11-5-7-12(17)8-6-11)20-16-15(13)18-9-10-19-16/h5-10H,2-4H2,1H3,(H,19,20).
What are the key properties of 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 285.78 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).