ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate

C23H26ClN5O2 — CID 121309799

IUPACethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C23H26ClN5O2/c1-2-31-23(30)28-11-9-27(10-12-28)15-20-22(17-5-7-18(24)8-6-17)26-21-13-25-19(14-29(20)21)16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3
InChIKeyDZONTVPZBIOYRQ-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.20
Rot. Bonds5

About ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate (PubChem CID 121309799) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate
PubChem CID121309799
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Nameethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1
InChIInChI=1S/C23H26ClN5O2/c1-2-31-23(30)28-11-9-27(10-12-28)15-20-22(17-5-7-18(24)8-6-17)26-21-13-25-19(14-29(20)21)16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3
InChIKeyDZONTVPZBIOYRQ-UHFFFAOYSA-N
XLogP4.20
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate (CID 121309799) is ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.
What is the InChIKey of ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate?
The InChIKey is DZONTVPZBIOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-2-31-23(30)28-11-9-27(10-12-28)15-20-22(17-5-7-18(24)8-6-17)26-21-13-25-19(14-29(20)21)16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3.
What are the key properties of ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate has a molecular weight of 439.95 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 121309799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).