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

C19H21N5O4 — CID 135374226

IUPACmethoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
SMILESCON(C(=O)O)c1ccc(-c2nc(N3CCOCC3)n3ccnc(C)c23)cc1
InChIInChI=1S/C19H21N5O4/c1-13-17-16(14-3-5-15(6-4-14)24(27-2)19(25)26)21-18(23(17)8-7-20-13)22-9-11-28-12-10-22/h3-8H,9-12H2,1-2H3,(H,25,26)
InChIKeyCARSOFWOJPEXRQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.59
Rot. Bonds4

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

methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid (PubChem CID 135374226) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid.

Molecular Properties

Compound Namemethoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
PubChem CID135374226
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Namemethoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid
SMILESCON(C(=O)O)c1ccc(-c2nc(N3CCOCC3)n3ccnc(C)c23)cc1
InChIInChI=1S/C19H21N5O4/c1-13-17-16(14-3-5-15(6-4-14)24(27-2)19(25)26)21-18(23(17)8-7-20-13)22-9-11-28-12-10-22/h3-8H,9-12H2,1-2H3,(H,25,26)
InChIKeyCARSOFWOJPEXRQ-UHFFFAOYSA-N
XLogP2.59
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.59
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-(4-morpholin-4-ylcyclohexyl)imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374227
methoxy-[4-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclopentyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]carbamic acid
CID 135374344
[3-fluoro-4-[8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-methoxycarbamic acid
CID 135374233
3-[2-methoxy-4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-methylindole-2-carboxamide
CID 172678560
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
N-methoxy-N-methyl-8-morpholin-4-yl-3-(4-phenylmethoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 122655936
methyl-[4-[4-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,3,5-triazin-2-yl]phenyl]carbamic acid
CID 67409608
[(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
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 174424268
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 140538831
N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379

Frequently Asked Questions

What is the IUPAC name of methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid?
The IUPAC name of methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid (CID 135374226) is methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid.
What is the SMILES notation for methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid?
The canonical SMILES for methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid is CON(C(=O)O)c1ccc(-c2nc(N3CCOCC3)n3ccnc(C)c23)cc1.
What is the InChIKey of methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid?
The InChIKey is CARSOFWOJPEXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-13-17-16(14-3-5-15(6-4-14)24(27-2)19(25)26)21-18(23(17)8-7-20-13)22-9-11-28-12-10-22/h3-8H,9-12H2,1-2H3,(H,25,26).
What are the key properties of methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid?
methoxy-[4-(8-methyl-3-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid has a molecular weight of 383.41 g/mol, XLogP of 2.59, 4 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-morpholin-4-ylimidazo[1,5-a]pyrazin-1-yl)phenyl]carbamic acid is sourced from PubChem (CID 135374226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).