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

C22H24N4O2 — CID 141376578

IUPAC7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one
SMILESCc1nccn2cc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc12
InChIInChI=1S/C22H24N4O2/c1-15-20-12-17(14-26(20)6-5-23-15)19-11-16-3-4-18(13-21(16)28-22(19)27)25-9-7-24(2)8-10-25/h3-6,12-14,19H,7-11H2,1-2H3
InChIKeyZKAHMPODENIEOH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.64
Rot. Bonds2

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

7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one (PubChem CID 141376578) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one
PubChem CID141376578
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one
SMILESCc1nccn2cc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc12
InChIInChI=1S/C22H24N4O2/c1-15-20-12-17(14-26(20)6-5-23-15)19-11-16-3-4-18(13-21(16)28-22(19)27)25-9-7-24(2)8-10-25/h3-6,12-14,19H,7-11H2,1-2H3
InChIKeyZKAHMPODENIEOH-UHFFFAOYSA-N
XLogP2.64
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.64
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-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one (CID 141376578) is 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one is Cc1nccn2cc(C3Cc4ccc(N5CCN(C)CC5)cc4OC3=O)cc12.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
The InChIKey is ZKAHMPODENIEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-20-12-17(14-26(20)6-5-23-15)19-11-16-3-4-18(13-21(16)28-22(19)27)25-9-7-24(2)8-10-25/h3-6,12-14,19H,7-11H2,1-2H3.
What are the key properties of 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one?
7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 141376578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).