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

C15H14ClN3 — CID 6538793

IUPAC6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)c1c(-c2ccc(Cl)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H14ClN3/c1-9(2)12-13(10-3-5-11(16)6-4-10)19-15-14(12)17-7-8-18-15/h3-9H,1-2H3,(H,18,19)
InChIKeyGFJIABMYYUGNEC-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.40
Rot. Bonds2

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

6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538793) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538793
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESCC(C)c1c(-c2ccc(Cl)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H14ClN3/c1-9(2)12-13(10-3-5-11(16)6-4-10)19-15-14(12)17-7-8-18-15/h3-9H,1-2H3,(H,18,19)
InChIKeyGFJIABMYYUGNEC-UHFFFAOYSA-N
XLogP4.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.40
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-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine (CID 6538793) is 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine is CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2nccnc12.
What is the InChIKey of 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is GFJIABMYYUGNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9(2)12-13(10-3-5-11(16)6-4-10)19-15-14(12)17-7-8-18-15/h3-9H,1-2H3,(H,18,19).
What are the key properties of 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine?
6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 271.75 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).