1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C32H35N7O — CID 71763375

IUPAC1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C32H35N7O/c1-3-40-28-20-26(21-7-5-4-6-8-21)35-27-19-22(9-10-25(27)28)29-30-31(33)34-11-12-39(30)32(36-29)23-17-24(18-23)38-15-13-37(2)14-16-38/h4-12,19-20,23-24H,3,13-18H2,1-2H3,(H2,33,34)
InChIKeyCXNWYGLTYOTVMX-UHFFFAOYSA-N
MW533.68 g/mol
LogP5.09
Rot. Bonds6

About 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71763375) has the molecular formula C32H35N7O and a molecular weight of 533.68 g/mol. Its IUPAC name is 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID71763375
Molecular FormulaC32H35N7O
Molecular Weight533.68 g/mol
Exact Mass533.29
IUPAC Name1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C32H35N7O/c1-3-40-28-20-26(21-7-5-4-6-8-21)35-27-19-22(9-10-25(27)28)29-30-31(33)34-11-12-39(30)32(36-29)23-17-24(18-23)38-15-13-37(2)14-16-38/h4-12,19-20,23-24H,3,13-18H2,1-2H3,(H2,33,34)
InChIKeyCXNWYGLTYOTVMX-UHFFFAOYSA-N
XLogP5.09
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 46900150
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CID 46900451
CID 46900451
CID 46900455
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CID 46900457
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CID 117967861
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 71763375) is 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CCOc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(N5CCN(C)CC5)C4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is CXNWYGLTYOTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O/c1-3-40-28-20-26(21-7-5-4-6-8-21)35-27-19-22(9-10-25(27)28)29-30-31(33)34-11-12-39(30)32(36-29)23-17-24(18-23)38-15-13-37(2)14-16-38/h4-12,19-20,23-24H,3,13-18H2,1-2H3,(H2,33,34).
What are the key properties of 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 533.68 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71763375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).