2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone

C30H30N4O3 — CID 158272848

IUPAC2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone
SMILESCOc1cc(-c2nc(C3CCOCC3)n3ccnc(C)c23)ccc1CC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C30H30N4O3/c1-19-29-28(32-30(34(29)13-12-31-19)20-10-14-37-15-11-20)23-9-8-22(27(18-23)36-3)17-26(35)25-16-21-6-4-5-7-24(21)33(25)2/h4-9,12-13,16,18,20H,10-11,14-15,17H2,1-3H3
InChIKeyGJGIEJIAEDFCLL-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.52
Rot. Bonds6

About 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone

2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone (PubChem CID 158272848) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone
PubChem CID158272848
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone
SMILESCOc1cc(-c2nc(C3CCOCC3)n3ccnc(C)c23)ccc1CC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C30H30N4O3/c1-19-29-28(32-30(34(29)13-12-31-19)20-10-14-37-15-11-20)23-9-8-22(27(18-23)36-3)17-26(35)25-16-21-6-4-5-7-24(21)33(25)2/h4-9,12-13,16,18,20H,10-11,14-15,17H2,1-3H3
InChIKeyGJGIEJIAEDFCLL-UHFFFAOYSA-N
XLogP5.52
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
[(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
N-[4-[3-[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 53345843
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
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
[(2S)-pentan-2-yl] 2-[4-[3-[4-(acetamidomethyl)cyclohexyl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]acetate
CID 147684838
[(2S)-pentan-2-yl] N-[2-methoxy-4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
CID 53345533
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
3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide
CID 172678560
[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid
CID 135374233
methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374227

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone?
The IUPAC name of 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) is 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone.
What is the SMILES notation for 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone?
The canonical SMILES for 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone is COc1cc(-c2nc(C3CCOCC3)n3ccnc(C)c23)ccc1CC(=O)c1cc2ccccc2n1C.
What is the InChIKey of 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone?
The InChIKey is GJGIEJIAEDFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-19-29-28(32-30(34(29)13-12-31-19)20-10-14-37-15-11-20)23-9-8-22(27(18-23)36-3)17-26(35)25-16-21-6-4-5-7-24(21)33(25)2/h4-9,12-13,16,18,20H,10-11,14-15,17H2,1-3H3.
What are the key properties of 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone?
2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone has a molecular weight of 494.60 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-(1-methylindol-2-yl)ethanone is sourced from PubChem (CID 158272848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).