2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone

C32H34N6O4 — CID 146856085

IUPAC2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone
SMILESCOc1cc(-c2nc(N3CCN(C(C)=O)CC3)n3ccnc(C)c23)ccc1CC(=O)c1cc2c(OC)cccc2n1C
InChIInChI=1S/C32H34N6O4/c1-20-31-30(34-32(38(31)12-11-33-20)37-15-13-36(14-16-37)21(2)39)23-10-9-22(29(18-23)42-5)17-27(40)26-19-24-25(35(26)3)7-6-8-28(24)41-4/h6-12,18-19H,13-17H2,1-5H3
InChIKeySJPXCZRQTIORLL-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.31
Rot. Bonds7

About 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone

2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone (PubChem CID 146856085) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone
PubChem CID146856085
Molecular FormulaC32H34N6O4
Molecular Weight566.66 g/mol
Exact Mass566.26
IUPAC Name2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone
SMILESCOc1cc(-c2nc(N3CCN(C(C)=O)CC3)n3ccnc(C)c23)ccc1CC(=O)c1cc2c(OC)cccc2n1C
InChIInChI=1S/C32H34N6O4/c1-20-31-30(34-32(38(31)12-11-33-20)37-15-13-36(14-16-37)21(2)39)23-10-9-22(29(18-23)42-5)17-27(40)26-19-24-25(35(26)3)7-6-8-28(24)41-4/h6-12,18-19H,13-17H2,1-5H3
InChIKeySJPXCZRQTIORLL-UHFFFAOYSA-N
XLogP4.31
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-methoxy-1-methylindol-2-yl)-2-[2-methoxy-4-[8-methyl-3-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
CID 160751809
2-[4-[3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone
CID 149356372
2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone
CID 158272848
3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide
CID 172678560
4-methoxy-N-[2-methoxy-4-[3-[4-[2-methoxyethyl(methyl)amino]cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylindole-2-carboxamide
CID 53345738
cyclohexyl N-[(1S,3S)-3-[1-[3-methoxy-4-[(4-methoxy-1-methylindole-2-carbonyl)amino]phenyl]-8-methylimidazo[1,5-a]pyrazin-3-yl]cyclopentyl]carbamate
CID 123604602
pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
CID 67364139
methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
CID 135374226
[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
CID 160789177
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
N-[4-[1-(4-acetylpiperazin-1-yl)-4-methylimidazo[1,5-a]pyrazin-4-ium-3-yl]-2-methoxyphenyl]-4-methoxy-1-methylindole-2-carboxamide
CID 87370915
[(2S)-pentan-2-yl] 2-[4-[3-[4-(acetamidomethyl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]acetate
CID 147684838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone?
The IUPAC name of 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone (CID 146856085) is 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone.
What is the SMILES notation for 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone?
The canonical SMILES for 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone is COc1cc(-c2nc(N3CCN(C(C)=O)CC3)n3ccnc(C)c23)ccc1CC(=O)c1cc2c(OC)cccc2n1C.
What is the InChIKey of 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone?
The InChIKey is SJPXCZRQTIORLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-20-31-30(34-32(38(31)12-11-33-20)37-15-13-36(14-16-37)21(2)39)23-10-9-22(29(18-23)42-5)17-27(40)26-19-24-25(35(26)3)7-6-8-28(24)41-4/h6-12,18-19H,13-17H2,1-5H3.
What are the key properties of 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone?
2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone has a molecular weight of 566.66 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-acetylpiperazin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-(4-methoxy-1-methylindol-2-yl)ethanone is sourced from PubChem (CID 146856085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).