3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one

C21H21N5O2 — CID 118045143

IUPAC3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2cn1
InChIInChI=1S/C21H21N5O2/c1-14-12-26-13-18(23-20(26)11-22-14)19-9-15-3-4-16(10-17(15)21(27)28-19)25-7-5-24(2)6-8-25/h3-4,9-13H,5-8H2,1-2H3
InChIKeyVLDHIEYXICLZCJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.56
Rot. Bonds2

About 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one

3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one (PubChem CID 118045143) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one.

Molecular Properties

Compound Name3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one
PubChem CID118045143
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2cn1
InChIInChI=1S/C21H21N5O2/c1-14-12-26-13-18(23-20(26)11-22-14)19-9-15-3-4-16(10-17(15)21(27)28-19)25-7-5-24(2)6-8-25/h3-4,9-13H,5-8H2,1-2H3
InChIKeyVLDHIEYXICLZCJ-UHFFFAOYSA-N
XLogP2.56
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
The IUPAC name of 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one (CID 118045143) is 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one.
What is the SMILES notation for 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
The canonical SMILES for 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one is Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2cn1.
What is the InChIKey of 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
The InChIKey is VLDHIEYXICLZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-12-26-13-18(23-20(26)11-22-14)19-9-15-3-4-16(10-17(15)21(27)28-19)25-7-5-24(2)6-8-25/h3-4,9-13H,5-8H2,1-2H3.
What are the key properties of 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one has a molecular weight of 375.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one is sourced from PubChem (CID 118045143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).