3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol

C26H23FN5O+ — CID 87617306

IUPAC3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol
SMILESCc1cc(-c2ccccc2)nc2cc(C3=NC(C4CC(O)C4)=C4C=NC=C[N+]34N)c(F)cc12
InChIInChI=1S/C26H23FN5O/c1-15-9-22(16-5-3-2-4-6-16)30-23-13-20(21(27)12-19(15)23)26-31-25(17-10-18(33)11-17)24-14-29-7-8-32(24,26)28/h2-9,12-14,17-18,33H,10-11,28H2,1H3/q+1
InChIKeyICZQFVBYXOTCNC-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.34
Rot. Bonds3

About 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol

3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol (PubChem CID 87617306) has the molecular formula C26H23FN5O+ and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol
PubChem CID87617306
Molecular FormulaC26H23FN5O+
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol
SMILESCc1cc(-c2ccccc2)nc2cc(C3=NC(C4CC(O)C4)=C4C=NC=C[N+]34N)c(F)cc12
InChIInChI=1S/C26H23FN5O/c1-15-9-22(16-5-3-2-4-6-16)30-23-13-20(21(27)12-19(15)23)26-31-25(17-10-18(33)11-17)24-14-29-7-8-32(24,26)28/h2-9,12-14,17-18,33H,10-11,28H2,1H3/q+1
InChIKeyICZQFVBYXOTCNC-UHFFFAOYSA-N
XLogP4.34
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-2-phenylquinolin-7-yl)-1-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87101949
(3R)-1-[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]pyrrolidin-3-ol
CID 87470196
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexane-1-carboxamide
CID 87102483
3-[4-amino-3-(8-fluoro-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol
CID 87102234
[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]methyl 4-methylbenzenesulfonate
CID 87101952
1-[3-(2-methoxyethylamino)cyclobutyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87101867
3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-(azetidin-1-ylmethyl)cyclobutan-1-ol
CID 87102691
4-[[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-hydroxycyclobutyl]methylamino]butanamide
CID 87111325
1-[2-(aminomethyl)cyclobutyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87591718
3-(2-phenylquinolin-7-yl)-1-propan-2-ylimidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87102449
1-tert-butyl-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87102610
3-[4-amino-3-[2-chloro-4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-methylcyclobutan-1-ol
CID 87657573

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol?
The IUPAC name of 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol (CID 87617306) is 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol is Cc1cc(-c2ccccc2)nc2cc(C3=NC(C4CC(O)C4)=C4C=NC=C[N+]34N)c(F)cc12.
What is the InChIKey of 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol?
The InChIKey is ICZQFVBYXOTCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN5O/c1-15-9-22(16-5-3-2-4-6-16)30-23-13-20(21(27)12-19(15)23)26-31-25(17-10-18(33)11-17)24-14-29-7-8-32(24,26)28/h2-9,12-14,17-18,33H,10-11,28H2,1H3/q+1.
What are the key properties of 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol?
3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol has a molecular weight of 440.50 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(6-fluoro-4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 87617306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).