tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C16H20N4O2 — CID 58417741

IUPACtert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(-c3ccccn3)cnc2C1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)19-8-9-20-13(10-18-14(20)11-19)12-6-4-5-7-17-12/h4-7,10H,8-9,11H2,1-3H3
InChIKeyXEOSFLIBRSEDPS-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 58417741) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID58417741
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nametert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2c(-c3ccccn3)cnc2C1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)19-8-9-20-13(10-18-14(20)11-19)12-6-4-5-7-17-12/h4-7,10H,8-9,11H2,1-3H3
InChIKeyXEOSFLIBRSEDPS-UHFFFAOYSA-N
XLogP2.70
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 58417741) is tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2c(-c3ccccn3)cnc2C1.
What is the InChIKey of tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is XEOSFLIBRSEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)19-8-9-20-13(10-18-14(20)11-19)12-6-4-5-7-17-12/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 58417741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).