7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one

C23H26N4O2 — CID 141376521

IUPAC7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one
SMILESCCN1CCN(c2ccc3c(c2)OC(=O)C(c2cc4cnc(C)cn4c2)C3)CC1
InChIInChI=1S/C23H26N4O2/c1-3-25-6-8-26(9-7-25)19-5-4-17-11-21(23(28)29-22(17)12-19)18-10-20-13-24-16(2)14-27(20)15-18/h4-5,10,12-15,21H,3,6-9,11H2,1-2H3
InChIKeyZCJFVOXPONGAHD-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.03
Rot. Bonds3

About 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one

7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one (PubChem CID 141376521) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one
PubChem CID141376521
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one
SMILESCCN1CCN(c2ccc3c(c2)OC(=O)C(c2cc4cnc(C)cn4c2)C3)CC1
InChIInChI=1S/C23H26N4O2/c1-3-25-6-8-26(9-7-25)19-5-4-17-11-21(23(28)29-22(17)12-19)18-10-20-13-24-16(2)14-27(20)15-18/h4-5,10,12-15,21H,3,6-9,11H2,1-2H3
InChIKeyZCJFVOXPONGAHD-UHFFFAOYSA-N
XLogP3.03
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one (CID 141376521) is 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one is CCN1CCN(c2ccc3c(c2)OC(=O)C(c2cc4cnc(C)cn4c2)C3)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
The InChIKey is ZCJFVOXPONGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-25-6-8-26(9-7-25)19-5-4-17-11-21(23(28)29-22(17)12-19)18-10-20-13-24-16(2)14-27(20)15-18/h4-5,10,12-15,21H,3,6-9,11H2,1-2H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one has a molecular weight of 390.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-3-(3-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141376521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).