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

C26H23N5O — CID 177076997

IUPAC3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3N)c3cnccn23)C1
InChIInChI=1S/C26H23N5O/c1-26(32)13-18(14-26)25-30-24(21-15-28-11-12-31(21)25)19-9-7-17-8-10-20(29-23(17)22(19)27)16-5-3-2-4-6-16/h2-12,15,18,32H,13-14,27H2,1H3
InChIKeyAIOJGGVRSISLKO-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.82
Rot. Bonds3

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

3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 177076997) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID177076997
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3N)c3cnccn23)C1
InChIInChI=1S/C26H23N5O/c1-26(32)13-18(14-26)25-30-24(21-15-28-11-12-31(21)25)19-9-7-17-8-10-20(29-23(17)22(19)27)16-5-3-2-4-6-16/h2-12,15,18,32H,13-14,27H2,1H3
InChIKeyAIOJGGVRSISLKO-UHFFFAOYSA-N
XLogP4.82
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
CID 87593436
3-[4-amino-3-(8-methyl-2-phenylquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclobutan-1-ol
CID 159690441
ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 143120632
3-[8-amino-1-(1-ethyl-2-phenyl-3a,7a-dihydrobenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 70954038
7-imidazol-1-yl-2-phenylquinolin-8-amine
CID 141127219
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
3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 143120652
3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;1-[4-[3-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;1-[4-[3-[8-amino-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
CID 158563657
3-[8-amino-1-(2-phenylquinolin-7-yl)-2H-imidazo[1,5-a]pyrazin-4-ium-3-yl]-1-methylcyclobutan-1-ol
CID 66715173
2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline
CID 68629592

Frequently Asked Questions

What is the IUPAC name of 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 177076997) is 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3N)c3cnccn23)C1.
What is the InChIKey of 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is AIOJGGVRSISLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-26(32)13-18(14-26)25-30-24(21-15-28-11-12-31(21)25)19-9-7-17-8-10-20(29-23(17)22(19)27)16-5-3-2-4-6-16/h2-12,15,18,32H,13-14,27H2,1H3.
What are the key properties of 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 421.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(8-amino-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 177076997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).