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FEUCZCJWESSSAP-KDURUIRLSA-N

C26H21N5O2 — CID 11704758

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid
SMILESNc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C26H21N5O2/c27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15/h1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33)
InChIKeyFEUCZCJWESSSAP-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.77
Rot. Bonds4

About FEUCZCJWESSSAP-KDURUIRLSA-N

FEUCZCJWESSSAP-KDURUIRLSA-N (PubChem CID 11704758) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound NameFEUCZCJWESSSAP-KDURUIRLSA-N
PubChem CID11704758
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid
SMILESNc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C26H21N5O2/c27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15/h1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33)
InChIKeyFEUCZCJWESSSAP-UHFFFAOYSA-N
XLogP4.77
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of FEUCZCJWESSSAP-KDURUIRLSA-N?
The IUPAC name of FEUCZCJWESSSAP-KDURUIRLSA-N (CID 11704758) is 3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for FEUCZCJWESSSAP-KDURUIRLSA-N?
The canonical SMILES for FEUCZCJWESSSAP-KDURUIRLSA-N is Nc1nccn2c(C3CC(C(=O)O)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of FEUCZCJWESSSAP-KDURUIRLSA-N?
The InChIKey is FEUCZCJWESSSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c27-24-23-22(30-25(31(23)11-10-28-24)18-12-19(13-18)26(32)33)17-7-6-16-8-9-20(29-21(16)14-17)15-4-2-1-3-5-15/h1-11,14,18-19H,12-13H2,(H2,27,28)(H,32,33).
What are the key properties of FEUCZCJWESSSAP-KDURUIRLSA-N?
FEUCZCJWESSSAP-KDURUIRLSA-N has a molecular weight of 435.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for FEUCZCJWESSSAP-KDURUIRLSA-N is sourced from PubChem (CID 11704758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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