3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide

C28H28N6O3 — CID 172678560

IUPAC3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(-c2nc(N3CCOCC3)n3ccnc(C)c23)ccc1-c1c(C(N)=O)n(C)c2ccccc12
InChIInChI=1S/C28H28N6O3/c1-17-25-24(31-28(34(25)11-10-30-17)33-12-14-37-15-13-33)18-8-9-20(22(16-18)36-3)23-19-6-4-5-7-21(19)32(2)26(23)27(29)35/h4-11,16H,12-15H2,1-3H3,(H2,29,35)
InChIKeyABPUPBODRAQRDZ-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.81
Rot. Bonds5

About 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide

3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide (PubChem CID 172678560) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide
PubChem CID172678560
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCOc1cc(-c2nc(N3CCOCC3)n3ccnc(C)c23)ccc1-c1c(C(N)=O)n(C)c2ccccc12
InChIInChI=1S/C28H28N6O3/c1-17-25-24(31-28(34(25)11-10-30-17)33-12-14-37-15-13-33)18-8-9-20(22(16-18)36-3)23-19-6-4-5-7-21(19)32(2)26(23)27(29)35/h4-11,16H,12-15H2,1-3H3,(H2,29,35)
InChIKeyABPUPBODRAQRDZ-UHFFFAOYSA-N
XLogP3.81
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
CID 135374226
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
pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
CID 67364139
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
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549
[(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
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
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
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
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
butyl 1-(3,4-dimethoxyphenyl)-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 141484492

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide (CID 172678560) is 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide is COc1cc(-c2nc(N3CCOCC3)n3ccnc(C)c23)ccc1-c1c(C(N)=O)n(C)c2ccccc12.
What is the InChIKey of 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide?
The InChIKey is ABPUPBODRAQRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-17-25-24(31-28(34(25)11-10-30-17)33-12-14-37-15-13-33)18-8-9-20(22(16-18)36-3)23-19-6-4-5-7-21(19)32(2)26(23)27(29)35/h4-11,16H,12-15H2,1-3H3,(H2,29,35).
What are the key properties of 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide?
3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 172678560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).