3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one

C22H23N5O2 — CID 71652160

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C22H23N5O2/c1-14-12-27-13-19(24-21(27)15(2)23-14)20-10-16-4-5-17(11-18(16)22(28)29-20)26-8-6-25(3)7-9-26/h4-5,10-13H,6-9H2,1-3H3
InChIKeyIJTUIAVNGJAVKK-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.87
Rot. Bonds2

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one (PubChem CID 71652160) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one
PubChem CID71652160
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C22H23N5O2/c1-14-12-27-13-19(24-21(27)15(2)23-14)20-10-16-4-5-17(11-18(16)22(28)29-20)26-8-6-25(3)7-9-26/h4-5,10-13H,6-9H2,1-3H3
InChIKeyIJTUIAVNGJAVKK-UHFFFAOYSA-N
XLogP2.87
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one (CID 71652160) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one is Cc1cn2cc(-c3cc4ccc(N5CCN(C)CC5)cc4c(=O)o3)nc2c(C)n1.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
The InChIKey is IJTUIAVNGJAVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-12-27-13-19(24-21(27)15(2)23-14)20-10-16-4-5-17(11-18(16)22(28)29-20)26-8-6-25(3)7-9-26/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one has a molecular weight of 389.46 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one is sourced from PubChem (CID 71652160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).