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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 166105354
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728
quinoxaline-5,6,7,8-tetracarboxylic acid
CID 139964539
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606397
3-phenyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid
CID 67029442
5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 55189272
6-amino-5-cyclohexylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118612798
1-[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 46974022
4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one
CID 127881306
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
pyrido[2,3-b]indolizine-10-carboxylic acid
CID 112545488

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).