3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol

C26H24N5O+ — CID 66715173

IUPAC3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2[nH]c(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncc[n+]23)C1
InChIInChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/p+1
InChIKeyPKCDDUHJAFVJJB-UHFFFAOYSA-O
MW422.51 g/mol
LogP4.24
Rot. Bonds3

About 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 66715173) has the molecular formula C26H24N5O+ and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol
PubChem CID66715173
Molecular FormulaC26H24N5O+
Molecular Weight422.51 g/mol
Exact Mass422.20
IUPAC Name3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2[nH]c(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncc[n+]23)C1
InChIInChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/p+1
InChIKeyPKCDDUHJAFVJJB-UHFFFAOYSA-O
XLogP4.24
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
3-[8-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-1-(hydroxymethyl)cyclobutan-1-ol
CID 68830716
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol
CID 70905162
[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
CID 143120577
2-phenyl-9-[4-[2-(2-pyrimidin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 164779363
3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495280
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 59133172
N-ethyl-4-methylpiperidine-1-carboxamide;3-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143120644
1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165080275

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol (CID 66715173) is 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(c2[nH]c(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncc[n+]23)C1.
What is the InChIKey of 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is PKCDDUHJAFVJJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/p+1.
What are the key properties of 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 422.51 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 66715173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).