tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate

C17H24N4O3 — CID 121439787

IUPACtert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate
SMILESCC1CCC(Oc2nccn3ccnc23)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O3/c1-12-5-6-13(11-21(12)16(22)24-17(2,3)4)23-15-14-18-7-9-20(14)10-8-19-15/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyGXANHKPSTISELU-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.90
Rot. Bonds2

About tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate

tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate (PubChem CID 121439787) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate
PubChem CID121439787
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate
SMILESCC1CCC(Oc2nccn3ccnc23)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O3/c1-12-5-6-13(11-21(12)16(22)24-17(2,3)4)23-15-14-18-7-9-20(14)10-8-19-15/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyGXANHKPSTISELU-UHFFFAOYSA-N
XLogP2.90
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate (CID 121439787) is tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate is CC1CCC(Oc2nccn3ccnc23)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate?
The InChIKey is GXANHKPSTISELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-5-6-13(11-21(12)16(22)24-17(2,3)4)23-15-14-18-7-9-20(14)10-8-19-15/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate?
tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-imidazo[1,2-a]pyrazin-8-yloxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 121439787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).