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

C22H22ClN5O2 — CID 78147845

IUPAC3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
SMILESCc1nc(Cl)cn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4c(=O)o3)nc12
InChIInChI=1S/C22H22ClN5O2/c1-12-8-27(9-13(2)24-12)16-5-4-15-6-19(30-22(29)17(15)7-16)18-10-28-11-20(23)25-14(3)21(28)26-18/h4-7,10-13,24H,8-9H2,1-3H3
InChIKeyYYBIVTCGSKFKRP-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.65
Rot. Bonds2

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

3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one (PubChem CID 78147845) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one.

Molecular Properties

Compound Name3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
PubChem CID78147845
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
SMILESCc1nc(Cl)cn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4c(=O)o3)nc12
InChIInChI=1S/C22H22ClN5O2/c1-12-8-27(9-13(2)24-12)16-5-4-15-6-19(30-22(29)17(15)7-16)18-10-28-11-20(23)25-14(3)21(28)26-18/h4-7,10-13,24H,8-9H2,1-3H3
InChIKeyYYBIVTCGSKFKRP-UHFFFAOYSA-N
XLogP3.65
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147521
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
CID 123602436
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
7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
CID 123542864
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
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
6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one
CID 123614687
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
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
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-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397
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

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
The IUPAC name of 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one (CID 78147845) is 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one.
What is the SMILES notation for 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
The canonical SMILES for 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one is Cc1nc(Cl)cn2cc(-c3cc4ccc(N5CC(C)NC(C)C5)cc4c(=O)o3)nc12.
What is the InChIKey of 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
The InChIKey is YYBIVTCGSKFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-12-8-27(9-13(2)24-12)16-5-4-15-6-19(30-22(29)17(15)7-16)18-10-28-11-20(23)25-14(3)21(28)26-18/h4-7,10-13,24H,8-9H2,1-3H3.
What are the key properties of 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one?
3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one has a molecular weight of 423.90 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one is sourced from PubChem (CID 78147845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).