ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate

C24H23Cl2N3O3 — CID 69142821

IUPACethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CN1CCOCC1
InChIInChI=1S/C24H23Cl2N3O3/c1-2-32-24(30)23-20(15-29-11-13-31-14-12-29)27-21(16-3-7-18(25)8-4-16)22(28-23)17-5-9-19(26)10-6-17/h3-10H,2,11-15H2,1H3
InChIKeyVIVFAZFCKFKNJP-UHFFFAOYSA-N
MW472.37 g/mol
LogP5.13
Rot. Bonds6

About ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate

ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate (PubChem CID 69142821) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate
PubChem CID69142821
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Nameethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CN1CCOCC1
InChIInChI=1S/C24H23Cl2N3O3/c1-2-32-24(30)23-20(15-29-11-13-31-14-12-29)27-21(16-3-7-18(25)8-4-16)22(28-23)17-5-9-19(26)10-6-17/h3-10H,2,11-15H2,1H3
InChIKeyVIVFAZFCKFKNJP-UHFFFAOYSA-N
XLogP5.13
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.37
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate?
The IUPAC name of ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate (CID 69142821) is ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1CN1CCOCC1.
What is the InChIKey of ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate?
The InChIKey is VIVFAZFCKFKNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-2-32-24(30)23-20(15-29-11-13-31-14-12-29)27-21(16-3-7-18(25)8-4-16)22(28-23)17-5-9-19(26)10-6-17/h3-10H,2,11-15H2,1H3.
What are the key properties of ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate?
ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate has a molecular weight of 472.37 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-bis(4-chlorophenyl)-3-(morpholin-4-ylmethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 69142821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).