N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine

C28H27N5O2 — CID 10434647

IUPACN-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(CNc2ccc(-c3cn4ccnc4c(NCc4ccccc4OC)n3)cc2)cc1
InChIInChI=1S/C28H27N5O2/c1-34-24-13-7-20(8-14-24)17-30-23-11-9-21(10-12-23)25-19-33-16-15-29-28(33)27(32-25)31-18-22-5-3-4-6-26(22)35-2/h3-16,19,30H,17-18H2,1-2H3,(H,31,32)
InChIKeyVIPRKNSXDGEXHI-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.64
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine

N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 10434647) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID10434647
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(CNc2ccc(-c3cn4ccnc4c(NCc4ccccc4OC)n3)cc2)cc1
InChIInChI=1S/C28H27N5O2/c1-34-24-13-7-20(8-14-24)17-30-23-11-9-21(10-12-23)25-19-33-16-15-29-28(33)27(32-25)31-18-22-5-3-4-6-26(22)35-2/h3-16,19,30H,17-18H2,1-2H3,(H,31,32)
InChIKeyVIPRKNSXDGEXHI-UHFFFAOYSA-N
XLogP5.64
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 10434647) is N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine is COc1ccc(CNc2ccc(-c3cn4ccnc4c(NCc4ccccc4OC)n3)cc2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is VIPRKNSXDGEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-34-24-13-7-20(8-14-24)17-30-23-11-9-21(10-12-23)25-19-33-16-15-29-28(33)27(32-25)31-18-22-5-3-4-6-26(22)35-2/h3-16,19,30H,17-18H2,1-2H3,(H,31,32).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 465.56 g/mol, XLogP of 5.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-[4-[(4-methoxyphenyl)methylamino]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 10434647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).