methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C27H30N4O5 — CID 50794465

IUPACmethyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC(C)C)cc1)C(C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C27H30N4O5/c1-18(2)36-21-12-10-20(11-13-21)15-31-24(32)23-22(25(33)35-4)29-17-30(23)16-27(31,3)26(34)28-14-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3,(H,28,34)
InChIKeyYWFBCHATARRCKO-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.19
Rot. Bonds8

About methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 50794465) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID50794465
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Namemethyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC(C)C)cc1)C(C)(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C27H30N4O5/c1-18(2)36-21-12-10-20(11-13-21)15-31-24(32)23-22(25(33)35-4)29-17-30(23)16-27(31,3)26(34)28-14-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3,(H,28,34)
InChIKeyYWFBCHATARRCKO-UHFFFAOYSA-N
XLogP3.19
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-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

Frequently Asked Questions

What is the IUPAC name of methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 50794465) is methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(Cc1ccc(OC(C)C)cc1)C(C)(C(=O)NCc1ccccc1)C2.
What is the InChIKey of methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is YWFBCHATARRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-18(2)36-21-12-10-20(11-13-21)15-31-24(32)23-22(25(33)35-4)29-17-30(23)16-27(31,3)26(34)28-14-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3,(H,28,34).
What are the key properties of methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 50794465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).