N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine

C23H24N4O4 — CID 16675313

IUPACN-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(CNc2c(-c3cc(OC)c(OC)c(OC)c3)nc3cnccn23)cc1
InChIInChI=1S/C23H24N4O4/c1-28-17-7-5-15(6-8-17)13-25-23-21(26-20-14-24-9-10-27(20)23)16-11-18(29-2)22(31-4)19(12-16)30-3/h5-12,14,25H,13H2,1-4H3
InChIKeyDVTVYYMLNZHHHM-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.04
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine

N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 16675313) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID16675313
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(CNc2c(-c3cc(OC)c(OC)c(OC)c3)nc3cnccn23)cc1
InChIInChI=1S/C23H24N4O4/c1-28-17-7-5-15(6-8-17)13-25-23-21(26-20-14-24-9-10-27(20)23)16-11-18(29-2)22(31-4)19(12-16)30-3/h5-12,14,25H,13H2,1-4H3
InChIKeyDVTVYYMLNZHHHM-UHFFFAOYSA-N
XLogP4.04
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine (CID 16675313) is N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine is COc1ccc(CNc2c(-c3cc(OC)c(OC)c(OC)c3)nc3cnccn23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is DVTVYYMLNZHHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-28-17-7-5-15(6-8-17)13-25-23-21(26-20-14-24-9-10-27(20)23)16-11-18(29-2)22(31-4)19(12-16)30-3/h5-12,14,25H,13H2,1-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 420.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 16675313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).