1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one

C25H30N4O3 — CID 23658492

IUPAC1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one
SMILESCOc1cc(-n2ccnc(NCCc3ccccc3)c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C25H30N4O3/c1-31-23-19-21(9-10-22(23)32-18-17-28-14-5-6-15-28)29-16-13-27-24(25(29)30)26-12-11-20-7-3-2-4-8-20/h2-4,7-10,13,16,19H,5-6,11-12,14-15,17-18H2,1H3,(H,26,27)
InChIKeyKJCBAAYRHXGRON-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.37
Rot. Bonds10

About 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one

1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one (PubChem CID 23658492) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one
PubChem CID23658492
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one
SMILESCOc1cc(-n2ccnc(NCCc3ccccc3)c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C25H30N4O3/c1-31-23-19-21(9-10-22(23)32-18-17-28-14-5-6-15-28)29-16-13-27-24(25(29)30)26-12-11-20-7-3-2-4-8-20/h2-4,7-10,13,16,19H,5-6,11-12,14-15,17-18H2,1H3,(H,26,27)
InChIKeyKJCBAAYRHXGRON-UHFFFAOYSA-N
XLogP3.37
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one?
The IUPAC name of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one (CID 23658492) is 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one is COc1cc(-n2ccnc(NCCc3ccccc3)c2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one?
The InChIKey is KJCBAAYRHXGRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-31-23-19-21(9-10-22(23)32-18-17-28-14-5-6-15-28)29-16-13-27-24(25(29)30)26-12-11-20-7-3-2-4-8-20/h2-4,7-10,13,16,19H,5-6,11-12,14-15,17-18H2,1H3,(H,26,27).
What are the key properties of 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one?
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one has a molecular weight of 434.54 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(2-phenylethylamino)pyrazin-2-one is sourced from PubChem (CID 23658492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).