6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol

C27H24N5O+ — CID 87102548

IUPAC6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol
SMILESN[N+]12C=CN=CC1=C(C1C3CC(O)CC31)N=C2c1ccc2ccc(-c3ccccc3)nc2c1
InChIInChI=1S/C27H24N5O/c28-32-11-10-29-15-24(32)26(25-20-13-19(33)14-21(20)25)31-27(32)18-7-6-17-8-9-22(30-23(17)12-18)16-4-2-1-3-5-16/h1-12,15,19-21,25,33H,13-14,28H2/q+1
InChIKeyJBKMFHPFGZDFBI-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.14
Rot. Bonds3

About 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol

6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol (PubChem CID 87102548) has the molecular formula C27H24N5O+ and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol
PubChem CID87102548
Molecular FormulaC27H24N5O+
Molecular Weight434.52 g/mol
Exact Mass434.20
IUPAC Name6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol
SMILESN[N+]12C=CN=CC1=C(C1C3CC(O)CC31)N=C2c1ccc2ccc(-c3ccccc3)nc2c1
InChIInChI=1S/C27H24N5O/c28-32-11-10-29-15-24(32)26(25-20-13-19(33)14-21(20)25)31-27(32)18-7-6-17-8-9-22(30-23(17)12-18)16-4-2-1-3-5-16/h1-12,15,19-21,25,33H,13-14,28H2/q+1
InChIKeyJBKMFHPFGZDFBI-UHFFFAOYSA-N
XLogP4.14
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.14
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

(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
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-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-(azetidin-1-ylmethyl)cyclobutan-1-ol
CID 87102691
1-[3-(2-methoxyethylamino)cyclobutyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87101867
4-[[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]-1-hydroxycyclobutyl]methylamino]butanamide
CID 87111325
[3-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclobutyl]methyl 4-methylbenzenesulfonate
CID 87101952
1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-4-amine
CID 87471035
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
4-[4-amino-3-(2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexane-1-carboxamide
CID 87102824
4-[4-amino-3-(6-chloro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]cyclohexane-1-carboxamide
CID 87102483

Frequently Asked Questions

What is the IUPAC name of 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol (CID 87102548) is 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol is N[N+]12C=CN=CC1=C(C1C3CC(O)CC31)N=C2c1ccc2ccc(-c3ccccc3)nc2c1.
What is the InChIKey of 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol?
The InChIKey is JBKMFHPFGZDFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N5O/c28-32-11-10-29-15-24(32)26(25-20-13-19(33)14-21(20)25)31-27(32)18-7-6-17-8-9-22(30-23(17)12-18)16-4-2-1-3-5-16/h1-12,15,19-21,25,33H,13-14,28H2/q+1.
What are the key properties of 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol?
6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol has a molecular weight of 434.52 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-amino-3-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-4-ium-1-yl]bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 87102548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).