methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid

C25H31N5O4 — CID 135374227

IUPACmethoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
SMILESCON(C(=O)O)c1ccc(-c2nc(C3CCC(N4CCOCC4)CC3)n3ccnc(C)c23)cc1
InChIInChI=1S/C25H31N5O4/c1-17-23-22(18-3-9-21(10-4-18)30(33-2)25(31)32)27-24(29(23)12-11-26-17)19-5-7-20(8-6-19)28-13-15-34-16-14-28/h3-4,9-12,19-20H,5-8,13-16H2,1-2H3,(H,31,32)
InChIKeyHWLXFAAIVCSVMZ-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.11
Rot. Bonds5

About methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid

methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid (PubChem CID 135374227) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid.

Molecular Properties

Compound Namemethoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
PubChem CID135374227
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Namemethoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
SMILESCON(C(=O)O)c1ccc(-c2nc(C3CCC(N4CCOCC4)CC3)n3ccnc(C)c23)cc1
InChIInChI=1S/C25H31N5O4/c1-17-23-22(18-3-9-21(10-4-18)30(33-2)25(31)32)27-24(29(23)12-11-26-17)19-5-7-20(8-6-19)28-13-15-34-16-14-28/h3-4,9-12,19-20H,5-8,13-16H2,1-2H3,(H,31,32)
InChIKeyHWLXFAAIVCSVMZ-UHFFFAOYSA-N
XLogP4.11
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methoxy-[4-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclopentyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374344
methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
CID 135374226
[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid
CID 135374233
[(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
[(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
6-methoxy-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1H-indazole-3-carboxamide
CID 53346066
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
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
1-bromo-8-methyl-3-(4-piperazin-1-ylcyclohexyl)imidazo[1,5-a]pyrazine;hydrochloride
CID 67365898
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
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587

Frequently Asked Questions

What is the IUPAC name of methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid?
The IUPAC name of methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid (CID 135374227) is methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid.
What is the SMILES notation for methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid?
The canonical SMILES for methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid is CON(C(=O)O)c1ccc(-c2nc(C3CCC(N4CCOCC4)CC3)n3ccnc(C)c23)cc1.
What is the InChIKey of methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid?
The InChIKey is HWLXFAAIVCSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-17-23-22(18-3-9-21(10-4-18)30(33-2)25(31)32)27-24(29(23)12-11-26-17)19-5-7-20(8-6-19)28-13-15-34-16-14-28/h3-4,9-12,19-20H,5-8,13-16H2,1-2H3,(H,31,32).
What are the key properties of methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid?
methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid has a molecular weight of 465.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-[8-methyl-3-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid is sourced from PubChem (CID 135374227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).