ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate

C14H22N4O2 — CID 79650847

IUPACethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCn3ccnc3C2)C1
InChIInChI=1S/C14H22N4O2/c1-2-20-13(19)14(15)4-3-11(9-14)18-8-7-17-6-5-16-12(17)10-18/h5-6,11H,2-4,7-10,15H2,1H3
InChIKeyCFGLHKAMPGTFKG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.51
Rot. Bonds3

About ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate (PubChem CID 79650847) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
PubChem CID79650847
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CCn3ccnc3C2)C1
InChIInChI=1S/C14H22N4O2/c1-2-20-13(19)14(15)4-3-11(9-14)18-8-7-17-6-5-16-12(17)10-18/h5-6,11H,2-4,7-10,15H2,1H3
InChIKeyCFGLHKAMPGTFKG-UHFFFAOYSA-N
XLogP0.51
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate (CID 79650847) is ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N2CCn3ccnc3C2)C1.
What is the InChIKey of ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate?
The InChIKey is CFGLHKAMPGTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-20-13(19)14(15)4-3-11(9-14)18-8-7-17-6-5-16-12(17)10-18/h5-6,11H,2-4,7-10,15H2,1H3.
What are the key properties of ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79650847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).