3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C27H27N5O — CID 143120652

IUPAC3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1C=C(c2nc(C3CC(C)(O)C3)n3ccnc(N)c23)C=C2N=C(c3ccccc3)C=CC21
InChIInChI=1S/C27H27N5O/c1-16-12-18(13-22-20(16)8-9-21(30-22)17-6-4-3-5-7-17)23-24-25(28)29-10-11-32(24)26(31-23)19-14-27(2,33)15-19/h3-13,16,19-20,33H,14-15H2,1-2H3,(H2,28,29)
InChIKeyLVUHNQOOHGSWCI-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.53
Rot. Bonds3

About 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 143120652) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID143120652
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1C=C(c2nc(C3CC(C)(O)C3)n3ccnc(N)c23)C=C2N=C(c3ccccc3)C=CC21
InChIInChI=1S/C27H27N5O/c1-16-12-18(13-22-20(16)8-9-21(30-22)17-6-4-3-5-7-17)23-24-25(28)29-10-11-32(24)26(31-23)19-14-27(2,33)15-19/h3-13,16,19-20,33H,14-15H2,1-2H3,(H2,28,29)
InChIKeyLVUHNQOOHGSWCI-UHFFFAOYSA-N
XLogP4.53
TPSA88.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 59133172
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-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(azetidin-1-yl)cyclobutan-1-ol
CID 70905162
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-cuban-1-ylisoquinolin-1-one
CID 178177177
3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-8-amine
CID 59133032
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-(4,4-difluoro-1-methylcyclohexyl)isoquinolin-1-one
CID 178177505
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]isoquinolin-1-one
CID 178177680
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]isoquinolin-1-one
CID 178177322
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-6-fluoro-4-methoxy-2-phenylisoquinolin-1-one
CID 178177100
[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
CID 143120577
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]isoquinolin-1-one
CID 178177094

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 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) is 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CC1C=C(c2nc(C3CC(C)(O)C3)n3ccnc(N)c23)C=C2N=C(c3ccccc3)C=CC21.
What is the InChIKey of 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is LVUHNQOOHGSWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-16-12-18(13-22-20(16)8-9-21(30-22)17-6-4-3-5-7-17)23-24-25(28)29-10-11-32(24)26(31-23)19-14-27(2,33)15-19/h3-13,16,19-20,33H,14-15H2,1-2H3,(H2,28,29).
What are the key properties of 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 437.55 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(5-methyl-2-phenyl-4a,5-dihydroquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 143120652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).