4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol

C21H20N4O — CID 22725030

IUPAC4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol
SMILESNN1C=C(c2ccc(O)cc2)Nc2nc(CCc3ccccc3)ccc21
InChIInChI=1S/C21H20N4O/c22-25-14-19(16-7-11-18(26)12-8-16)24-21-20(25)13-10-17(23-21)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-14,26H,6,9,22H2,(H,23,24)
InChIKeyFLIIXVFNNPIHFQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.68
Rot. Bonds4

About 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol

4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol (PubChem CID 22725030) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol
PubChem CID22725030
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol
SMILESNN1C=C(c2ccc(O)cc2)Nc2nc(CCc3ccccc3)ccc21
InChIInChI=1S/C21H20N4O/c22-25-14-19(16-7-11-18(26)12-8-16)24-21-20(25)13-10-17(23-21)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-14,26H,6,9,22H2,(H,23,24)
InChIKeyFLIIXVFNNPIHFQ-UHFFFAOYSA-N
XLogP3.68
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol?
The IUPAC name of 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol (CID 22725030) is 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol is NN1C=C(c2ccc(O)cc2)Nc2nc(CCc3ccccc3)ccc21.
What is the InChIKey of 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol?
The InChIKey is FLIIXVFNNPIHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c22-25-14-19(16-7-11-18(26)12-8-16)24-21-20(25)13-10-17(23-21)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-14,26H,6,9,22H2,(H,23,24).
What are the key properties of 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol?
4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol has a molecular weight of 344.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-6-(2-phenylethyl)-4H-pyrido[2,3-b]pyrazin-3-yl]phenol is sourced from PubChem (CID 22725030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).