6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid

C16H13N3O2 — CID 166104245

IUPAC6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c(C2CC2)n(-c2ccccc2)c2nccnc12
InChIInChI=1S/C16H13N3O2/c20-16(21)12-13-15(18-9-8-17-13)19(14(12)10-6-7-10)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,20,21)
InChIKeyPETNYEHZBCWBGL-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.00
Rot. Bonds3

About 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid

6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 166104245) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID166104245
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c(C2CC2)n(-c2ccccc2)c2nccnc12
InChIInChI=1S/C16H13N3O2/c20-16(21)12-13-15(18-9-8-17-13)19(14(12)10-6-7-10)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,20,21)
InChIKeyPETNYEHZBCWBGL-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 166104245) is 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c(C2CC2)n(-c2ccccc2)c2nccnc12.
What is the InChIKey of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is PETNYEHZBCWBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)12-13-15(18-9-8-17-13)19(14(12)10-6-7-10)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,20,21).
What are the key properties of 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid?
6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 166104245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).