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

C26H33N3O4 — CID 160789177

IUPAC[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
SMILESCCC[C@H](C)OC(=O)Cc1ccc(-c2nc(C3CCOCC3)n3ccnc(C)c23)cc1OC
InChIInChI=1S/C26H33N3O4/c1-5-6-17(2)33-23(30)16-20-7-8-21(15-22(20)31-4)24-25-18(3)27-11-12-29(25)26(28-24)19-9-13-32-14-10-19/h7-8,11-12,15,17,19H,5-6,9-10,13-14,16H2,1-4H3/t17-/m0/s1
InChIKeySBPPPGHRZVXAEO-KRWDZBQOSA-N
MW451.57 g/mol
LogP4.88
Rot. Bonds8

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

[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate (PubChem CID 160789177) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate.

Molecular Properties

Compound Name[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
PubChem CID160789177
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate
SMILESCCC[C@H](C)OC(=O)Cc1ccc(-c2nc(C3CCOCC3)n3ccnc(C)c23)cc1OC
InChIInChI=1S/C26H33N3O4/c1-5-6-17(2)33-23(30)16-20-7-8-21(15-22(20)31-4)24-25-18(3)27-11-12-29(25)26(28-24)19-9-13-32-14-10-19/h7-8,11-12,15,17,19H,5-6,9-10,13-14,16H2,1-4H3/t17-/m0/s1
InChIKeySBPPPGHRZVXAEO-KRWDZBQOSA-N
XLogP4.88
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(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
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
[(2S)-pentan-2-yl] N-[2-methoxy-4-[3-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]phenyl]carbamate
CID 53345315
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
pentan-2-yl N-[4-[3-(azetidin-1-yl)-8-methylimidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]carbamate
CID 67364139
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
1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate
CID 71074993
[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
1-(3-butoxy-4-methoxyphenyl)-8-chloro-3-cyclobutylimidazo[1,5-a]pyrazine
CID 88907381
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

Frequently Asked Questions

What is the IUPAC name of [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate?
The IUPAC name of [(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) is [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate.
What is the SMILES notation for [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate?
The canonical SMILES for [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate is CCC[C@H](C)OC(=O)Cc1ccc(-c2nc(C3CCOCC3)n3ccnc(C)c23)cc1OC.
What is the InChIKey of [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate?
The InChIKey is SBPPPGHRZVXAEO-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-5-6-17(2)33-23(30)16-20-7-8-21(15-22(20)31-4)24-25-18(3)27-11-12-29(25)26(28-24)19-9-13-32-14-10-19/h7-8,11-12,15,17,19H,5-6,9-10,13-14,16H2,1-4H3/t17-/m0/s1.
What are the key properties of [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate?
[(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate has a molecular weight of 451.57 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pentan-2-yl] 2-[2-methoxy-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]acetate is sourced from PubChem (CID 160789177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).