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

C24H27N5O3 — CID 123602436

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCN(CCO)C(C)C5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C24H27N5O3/c1-15-12-29-14-21(26-23(29)17(3)25-15)22-10-18-4-5-19(11-20(18)24(31)32-22)28-7-6-27(8-9-30)16(2)13-28/h4-5,10-12,14,16,30H,6-9,13H2,1-3H3
InChIKeyLUDRVJSGZPFNML-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.62
Rot. Bonds4

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

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one (PubChem CID 123602436) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
PubChem CID123602436
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CCN(CCO)C(C)C5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C24H27N5O3/c1-15-12-29-14-21(26-23(29)17(3)25-15)22-10-18-4-5-19(11-20(18)24(31)32-22)28-7-6-27(8-9-30)16(2)13-28/h4-5,10-12,14,16,30H,6-9,13H2,1-3H3
InChIKeyLUDRVJSGZPFNML-UHFFFAOYSA-N
XLogP2.62
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147521
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-[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-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-(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
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[1-(2-hydroxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]chromen-2-one
CID 123866673
7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 170703462
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol
CID 130383095
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-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
CID 123341802
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

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one (CID 123602436) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one is Cc1cn2cc(-c3cc4ccc(N5CCN(CCO)C(C)C5)cc4c(=O)o3)nc2c(C)n1.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one?
The InChIKey is LUDRVJSGZPFNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-12-29-14-21(26-23(29)17(3)25-15)22-10-18-4-5-19(11-20(18)24(31)32-22)28-7-6-27(8-9-30)16(2)13-28/h4-5,10-12,14,16,30H,6-9,13H2,1-3H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one has a molecular weight of 433.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one is sourced from PubChem (CID 123602436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).