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

C27H25N5O2 — CID 71762923

IUPAC3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)
InChIKeyCJHSJJVYZWFZSW-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.83
Rot. Bonds4

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

3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 71762923) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID71762923
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)
InChIKeyCJHSJJVYZWFZSW-UHFFFAOYSA-N
XLogP4.83
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 71762923) is 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is COc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is CJHSJJVYZWFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29).
What are the key properties of 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 451.53 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 71762923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).