[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium

C26H24N5O2+ — CID 143120577

IUPAC[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
SMILESNc1nccn2c(C3CC([OH2+])(CO)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C26H23N5O2/c27-24-23-22(30-25(31(23)11-10-28-24)19-13-26(33,14-19)15-32)18-7-6-17-8-9-20(29-21(17)12-18)16-4-2-1-3-5-16/h1-12,19,32-33H,13-15H2,(H2,27,28)/p+1
InChIKeyHNTFTTBRCDCKCO-UHFFFAOYSA-O
MW438.51 g/mol
LogP3.53
Rot. Bonds4

About [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium

[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium (PubChem CID 143120577) has the molecular formula C26H24N5O2+ and a molecular weight of 438.51 g/mol. Its IUPAC name is [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium.

Molecular Properties

Compound Name[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
PubChem CID143120577
Molecular FormulaC26H24N5O2+
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC Name[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
SMILESNc1nccn2c(C3CC([OH2+])(CO)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C26H23N5O2/c27-24-23-22(30-25(31(23)11-10-28-24)19-13-26(33,14-19)15-32)18-7-6-17-8-9-20(29-21(17)12-18)16-4-2-1-3-5-16/h1-12,19,32-33H,13-15H2,(H2,27,28)/p+1
InChIKeyHNTFTTBRCDCKCO-UHFFFAOYSA-O
XLogP3.53
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium?
The IUPAC name of [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium (CID 143120577) is [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium.
What is the SMILES notation for [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium?
The canonical SMILES for [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium is Nc1nccn2c(C3CC([OH2+])(CO)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium?
The InChIKey is HNTFTTBRCDCKCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23N5O2/c27-24-23-22(30-25(31(23)11-10-28-24)19-13-26(33,14-19)15-32)18-7-6-17-8-9-20(29-21(17)12-18)16-4-2-1-3-5-16/h1-12,19,32-33H,13-15H2,(H2,27,28)/p+1.
What are the key properties of [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium?
[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium has a molecular weight of 438.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium is sourced from PubChem (CID 143120577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).