5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid

C24H23N3O2 — CID 71657499

IUPAC5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid
SMILESCc1ccc(-c2nc3cc(CCCCC(=O)O)[nH]c3nc2-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c1-16-11-13-18(14-12-16)22-23(17-7-3-2-4-8-17)27-24-20(26-22)15-19(25-24)9-5-6-10-21(28)29/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H,25,27)(H,28,29)
InChIKeySQLUGFDOASDGMN-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.40
Rot. Bonds7

About 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid

5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid (PubChem CID 71657499) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid
PubChem CID71657499
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid
SMILESCc1ccc(-c2nc3cc(CCCCC(=O)O)[nH]c3nc2-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O2/c1-16-11-13-18(14-12-16)22-23(17-7-3-2-4-8-17)27-24-20(26-22)15-19(25-24)9-5-6-10-21(28)29/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H,25,27)(H,28,29)
InChIKeySQLUGFDOASDGMN-UHFFFAOYSA-N
XLogP5.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid?
The IUPAC name of 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid (CID 71657499) is 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid.
What is the SMILES notation for 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid?
The canonical SMILES for 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid is Cc1ccc(-c2nc3cc(CCCCC(=O)O)[nH]c3nc2-c2ccccc2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid?
The InChIKey is SQLUGFDOASDGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-11-13-18(14-12-16)22-23(17-7-3-2-4-8-17)27-24-20(26-22)15-19(25-24)9-5-6-10-21(28)29/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid?
5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid has a molecular weight of 385.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)-3-phenyl-5H-pyrrolo[2,3-b]pyrazin-6-yl]pentanoic acid is sourced from PubChem (CID 71657499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).