3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine

C25H21N5O — CID 126472176

IUPAC3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(Oc2ccccc2-c2cnc3c(NCCc4ccccn4)nccn23)cc1
InChIInChI=1S/C25H21N5O/c1-2-9-20(10-3-1)31-23-12-5-4-11-21(23)22-18-29-25-24(28-16-17-30(22)25)27-15-13-19-8-6-7-14-26-19/h1-12,14,16-18H,13,15H2,(H,27,28)
InChIKeyKABIHGWLLMNNKH-UHFFFAOYSA-N
MW407.48 g/mol
LogP5.24
Rot. Bonds7

About 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine

3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126472176) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID126472176
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1ccc(Oc2ccccc2-c2cnc3c(NCCc4ccccn4)nccn23)cc1
InChIInChI=1S/C25H21N5O/c1-2-9-20(10-3-1)31-23-12-5-4-11-21(23)22-18-29-25-24(28-16-17-30(22)25)27-15-13-19-8-6-7-14-26-19/h1-12,14,16-18H,13,15H2,(H,27,28)
InChIKeyKABIHGWLLMNNKH-UHFFFAOYSA-N
XLogP5.24
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine (CID 126472176) is 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine is c1ccc(Oc2ccccc2-c2cnc3c(NCCc4ccccn4)nccn23)cc1.
What is the InChIKey of 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is KABIHGWLLMNNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-2-9-20(10-3-1)31-23-12-5-4-11-21(23)22-18-29-25-24(28-16-17-30(22)25)27-15-13-19-8-6-7-14-26-19/h1-12,14,16-18H,13,15H2,(H,27,28).
What are the key properties of 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 407.48 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126472176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).