3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one

C23H25N5O2 — CID 78147521

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C23H25N5O2/c1-13-9-27(10-14(2)24-13)18-6-5-17-7-21(30-23(29)19(17)8-18)20-12-28-11-15(3)25-16(4)22(28)26-20/h5-8,11-14,24H,9-10H2,1-4H3
InChIKeyORYJQOAIKOUOOC-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.31
Rot. Bonds2

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one (PubChem CID 78147521) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
PubChem CID78147521
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C23H25N5O2/c1-13-9-27(10-14(2)24-13)18-6-5-17-7-21(30-23(29)19(17)8-18)20-12-28-11-15(3)25-16(4)22(28)26-20/h5-8,11-14,24H,9-10H2,1-4H3
InChIKeyORYJQOAIKOUOOC-UHFFFAOYSA-N
XLogP3.31
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147845
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 71679454
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
CID 123602436
7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 123542864
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
CID 71679779
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperidin-4-ylisochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1,2,3,6-tetrahydropyridin-4-yl)isochromen-1-one
CID 159503103
7-[4-(dimethylamino)piperidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-hydroxypiperidin-1-yl)isochromen-1-one;7-[(3R)-3,4-dimethylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;7-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]isochromen-1-one
CID 158790017
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)chromen-2-one
CID 123619870
6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one
CID 123614687
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)isochromen-1-one;7-(4-tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-propylpiperazin-1-yl)isochromen-1-one;3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]isochromen-1-one
CID 157477866
7-[(3S)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 139460014
7-[3-(aminomethyl)pyrrolidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123601059

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one (CID 78147521) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one is Cc1cn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4c(=O)o3)nc2c(C)n1.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
The InChIKey is ORYJQOAIKOUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-13-9-27(10-14(2)24-13)18-6-5-17-7-21(30-23(29)19(17)8-18)20-12-28-11-15(3)25-16(4)22(28)26-20/h5-8,11-14,24H,9-10H2,1-4H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one has a molecular weight of 403.49 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 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-(3,5-dimethylpiperazin-1-yl)isochromen-1-one is sourced from PubChem (CID 78147521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).