7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

C18H23ClN4O3 — CID 133142253

IUPAC7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCOCCNC(=O)C1CN(CCOc2ccc(Cl)cc2)Cc2cncn21
InChIInChI=1S/C18H23ClN4O3/c1-25-8-6-21-18(24)17-12-22(11-15-10-20-13-23(15)17)7-9-26-16-4-2-14(19)3-5-16/h2-5,10,13,17H,6-9,11-12H2,1H3,(H,21,24)
InChIKeyCBNSVPFSYUXXOC-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.73
Rot. Bonds8

About 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide

7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 133142253) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID133142253
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCOCCNC(=O)C1CN(CCOc2ccc(Cl)cc2)Cc2cncn21
InChIInChI=1S/C18H23ClN4O3/c1-25-8-6-21-18(24)17-12-22(11-15-10-20-13-23(15)17)7-9-26-16-4-2-14(19)3-5-16/h2-5,10,13,17H,6-9,11-12H2,1H3,(H,21,24)
InChIKeyCBNSVPFSYUXXOC-UHFFFAOYSA-N
XLogP1.73
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-N-(2-methoxyethyl)-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 124795951
7-(cyclobutanecarbonyl)-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694370
7-[3-(4-chlorophenyl)propanoyl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 133141215
2-[[C-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111363421
N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46438037
azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 131652015
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)ethyl]azetidin-3-yl]ethyl]acetamide
CID 137380416
1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110374043
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
7-[(2-methoxy-3-pyridinyl)methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131638794
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 133142253) is 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is COCCNC(=O)C1CN(CCOc2ccc(Cl)cc2)Cc2cncn21.
What is the InChIKey of 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is CBNSVPFSYUXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-25-8-6-21-18(24)17-12-22(11-15-10-20-13-23(15)17)7-9-26-16-4-2-14(19)3-5-16/h2-5,10,13,17H,6-9,11-12H2,1H3,(H,21,24).
What are the key properties of 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-chlorophenoxy)ethyl]-N-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 133142253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).