tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate

C17H24FN5O2 — CID 10020726

IUPACtert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nccn3c(CCF)cnc23)CC1
InChIInChI=1S/C17H24FN5O2/c1-17(2,3)25-16(24)22-10-8-21(9-11-22)14-15-20-12-13(4-5-18)23(15)7-6-19-14/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyKQPYGHVRKMDRQC-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.30
Rot. Bonds3

About tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate

tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate (PubChem CID 10020726) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate
PubChem CID10020726
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Nametert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nccn3c(CCF)cnc23)CC1
InChIInChI=1S/C17H24FN5O2/c1-17(2,3)25-16(24)22-10-8-21(9-11-22)14-15-20-12-13(4-5-18)23(15)7-6-19-14/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyKQPYGHVRKMDRQC-UHFFFAOYSA-N
XLogP2.30
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate (CID 10020726) is tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nccn3c(CCF)cnc23)CC1.
What is the InChIKey of tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate?
The InChIKey is KQPYGHVRKMDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2/c1-17(2,3)25-16(24)22-10-8-21(9-11-22)14-15-20-12-13(4-5-18)23(15)7-6-19-14/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate?
tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate is sourced from PubChem (CID 10020726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).