benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate

C26H22N6O2 — CID 59852404

IUPACbenzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate
SMILESCCn1c(-c2nc(-c3ccc(C(=O)OCc4ccccc4)cc3)cnc2N)nc2cnccc21
InChIInChI=1S/C26H22N6O2/c1-2-32-22-12-13-28-14-21(22)31-25(32)23-24(27)29-15-20(30-23)18-8-10-19(11-9-18)26(33)34-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H2,27,29)
InChIKeyYVYQNTIKNKEPML-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.51
Rot. Bonds6

About benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate

benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate (PubChem CID 59852404) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate.

Molecular Properties

Compound Namebenzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate
PubChem CID59852404
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Namebenzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate
SMILESCCn1c(-c2nc(-c3ccc(C(=O)OCc4ccccc4)cc3)cnc2N)nc2cnccc21
InChIInChI=1S/C26H22N6O2/c1-2-32-22-12-13-28-14-21(22)31-25(32)23-24(27)29-15-20(30-23)18-8-10-19(11-9-18)26(33)34-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H2,27,29)
InChIKeyYVYQNTIKNKEPML-UHFFFAOYSA-N
XLogP4.51
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate?
The IUPAC name of benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate (CID 59852404) is benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate.
What is the SMILES notation for benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate?
The canonical SMILES for benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate is CCn1c(-c2nc(-c3ccc(C(=O)OCc4ccccc4)cc3)cnc2N)nc2cnccc21.
What is the InChIKey of benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate?
The InChIKey is YVYQNTIKNKEPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-2-32-22-12-13-28-14-21(22)31-25(32)23-24(27)29-15-20(30-23)18-8-10-19(11-9-18)26(33)34-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H2,27,29).
What are the key properties of benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate?
benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate has a molecular weight of 450.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[5-amino-6-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-yl]benzoate is sourced from PubChem (CID 59852404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).