7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one

C26H29N5O2 — CID 123542864

IUPAC7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC(C)N(C6CCC6)C(C)C5)cc4c(=O)o3)nc2cn1
InChIInChI=1S/C26H29N5O2/c1-16-12-30-15-23(28-25(30)11-27-16)24-9-19-7-8-21(10-22(19)26(32)33-24)29-13-17(2)31(18(3)14-29)20-5-4-6-20/h7-12,15,17-18,20H,4-6,13-14H2,1-3H3
InChIKeyPLPJGODBJXXUSU-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.26
Rot. Bonds3

About 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one

7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one (PubChem CID 123542864) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one.

Molecular Properties

Compound Name7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
PubChem CID123542864
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC(C)N(C6CCC6)C(C)C5)cc4c(=O)o3)nc2cn1
InChIInChI=1S/C26H29N5O2/c1-16-12-30-15-23(28-25(30)11-27-16)24-9-19-7-8-21(10-22(19)26(32)33-24)29-13-17(2)31(18(3)14-29)20-5-4-6-20/h7-12,15,17-18,20H,4-6,13-14H2,1-3H3
InChIKeyPLPJGODBJXXUSU-UHFFFAOYSA-N
XLogP4.26
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
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
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-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147845
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-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]isochromen-1-one
CID 123602436
7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123862457
7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one
CID 157308741
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 118037489
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123320681
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
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one?
The IUPAC name of 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one (CID 123542864) is 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one.
What is the SMILES notation for 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one?
The canonical SMILES for 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one is Cc1cn2cc(-c3cc4ccc(N5CC(C)N(C6CCC6)C(C)C5)cc4c(=O)o3)nc2cn1.
What is the InChIKey of 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one?
The InChIKey is PLPJGODBJXXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16-12-30-15-23(28-25(30)11-27-16)24-9-19-7-8-21(10-22(19)26(32)33-24)29-13-17(2)31(18(3)14-29)20-5-4-6-20/h7-12,15,17-18,20H,4-6,13-14H2,1-3H3.
What are the key properties of 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one?
7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one has a molecular weight of 443.55 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclobutyl-3,5-dimethylpiperazin-1-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)isochromen-1-one is sourced from PubChem (CID 123542864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).