[1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone

C18H18N4O3 — CID 118740498

IUPAC[1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1nc(C(=O)N2CCOCC2)n2ccncc12
InChIInChI=1S/C18H18N4O3/c1-24-15-5-3-2-4-13(15)16-14-12-19-6-7-22(14)17(20-16)18(23)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3
InChIKeyYUDDEEAIZAFEKK-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.88
Rot. Bonds3

About [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone

[1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 118740498) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone
PubChem CID118740498
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name[1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1nc(C(=O)N2CCOCC2)n2ccncc12
InChIInChI=1S/C18H18N4O3/c1-24-15-5-3-2-4-13(15)16-14-12-19-6-7-22(14)17(20-16)18(23)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3
InChIKeyYUDDEEAIZAFEKK-UHFFFAOYSA-N
XLogP1.88
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N1-((4-methoxyphenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine (1:1)
CID 162821
6-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023791
7-(2-cyclopentylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023788
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023784
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023785
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)-3-fluorophenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023786
7-(2-cyclohexylethyl)-6-[4-(4-acetyl-1,4-diazepan-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023787
7-(2-cycloheptylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023790
2-(3-Methoxy-4-pyridin-2-ylphenyl)imidazo(1,2-a)pyridine
CID 10380127
2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone (CID 118740498) is [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone is COc1ccccc1-c1nc(C(=O)N2CCOCC2)n2ccncc12.
What is the InChIKey of [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is YUDDEEAIZAFEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-15-5-3-2-4-13(15)16-14-12-19-6-7-22(14)17(20-16)18(23)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone?
[1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 338.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118740498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).