[1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

C28H31ClN4O6 — CID 123613410

IUPAC[1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)N2CCn3c(c(O)n(OC(=O)N4CCC(CCc5ccc(Cl)cc5)CC4)c3=O)C2)cc1
InChIInChI=1S/C28H31ClN4O6/c1-38-23-10-6-21(7-11-23)25(34)31-16-17-32-24(18-31)26(35)33(27(32)36)39-28(37)30-14-12-20(13-15-30)3-2-19-4-8-22(29)9-5-19/h4-11,20,35H,2-3,12-18H2,1H3
InChIKeyNWLYJUSFFJWVFV-UHFFFAOYSA-N
MW555.03 g/mol
LogP3.57
Rot. Bonds6

About [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

[1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (PubChem CID 123613410) has the molecular formula C28H31ClN4O6 and a molecular weight of 555.03 g/mol. Its IUPAC name is [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
PubChem CID123613410
Molecular FormulaC28H31ClN4O6
Molecular Weight555.03 g/mol
Exact Mass554.19
IUPAC Name[1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
SMILESCOc1ccc(C(=O)N2CCn3c(c(O)n(OC(=O)N4CCC(CCc5ccc(Cl)cc5)CC4)c3=O)C2)cc1
InChIInChI=1S/C28H31ClN4O6/c1-38-23-10-6-21(7-11-23)25(34)31-16-17-32-24(18-31)26(35)33(27(32)36)39-28(37)30-14-12-20(13-15-30)3-2-19-4-8-22(29)9-5-19/h4-11,20,35H,2-3,12-18H2,1H3
InChIKeyNWLYJUSFFJWVFV-UHFFFAOYSA-N
XLogP3.57
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.03
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-hydroxy-3-oxo-7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 123542734
(1-hydroxy-3-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 123385269
(1-hydroxy-7-methyl-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl) 4-(4-methoxyphenyl)piperazine-1-carboxylate
CID 123789612
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 17409629
N-ethyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]benzenesulfonamide
CID 46808163
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 51292547
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-[4-(pyridin-3-ylmethylsulfanyl)phenyl]methanone
CID 55691441
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate (CID 123613410) is [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is COc1ccc(C(=O)N2CCn3c(c(O)n(OC(=O)N4CCC(CCc5ccc(Cl)cc5)CC4)c3=O)C2)cc1.
What is the InChIKey of [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
The InChIKey is NWLYJUSFFJWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O6/c1-38-23-10-6-21(7-11-23)25(34)31-16-17-32-24(18-31)26(35)33(27(32)36)39-28(37)30-14-12-20(13-15-30)3-2-19-4-8-22(29)9-5-19/h4-11,20,35H,2-3,12-18H2,1H3.
What are the key properties of [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate?
[1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate has a molecular weight of 555.03 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-7-(4-methoxybenzoyl)-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 123613410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).