methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C21H24N4O5 — CID 50794444

IUPACmethyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccccc1OC)C2
InChIInChI=1S/C21H24N4O5/c1-21(20(28)22-10-13-6-4-5-7-15(13)29-2)11-24-12-23-16(19(27)30-3)17(24)18(26)25(21)14-8-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,22,28)
InChIKeyDRMGJBMFWXGZSU-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.37
Rot. Bonds6

About methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 50794444) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID50794444
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Namemethyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccccc1OC)C2
InChIInChI=1S/C21H24N4O5/c1-21(20(28)22-10-13-6-4-5-7-15(13)29-2)11-24-12-23-16(19(27)30-3)17(24)18(26)25(21)14-8-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,22,28)
InChIKeyDRMGJBMFWXGZSU-UHFFFAOYSA-N
XLogP1.37
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6S)-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072934
(6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072899
(6S)-7-cyclopropyl-1-N-[(3-fluorophenyl)methyl]-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072944
methyl (6R)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-7-(3-methylbutyl)-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891848
methyl (6S)-7-[(4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891855
methyl 7-(4-ethylphenyl)-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 50794416
methyl (6S)-7-[(4-chlorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891825
methyl 7-cyclopropyl-6-methyl-6-[(3-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 46279515
methyl (6R)-7-[(3-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891880
methyl (6R)-7-[(2-chloro-4-fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891874
1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084353
(6S)-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073042

Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 50794444) is methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCc1ccccc1OC)C2.
What is the InChIKey of methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is DRMGJBMFWXGZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-21(20(28)22-10-13-6-4-5-7-15(13)29-2)11-24-12-23-16(19(27)30-3)17(24)18(26)25(21)14-8-9-14/h4-7,12,14H,8-11H2,1-3H3,(H,22,28).
What are the key properties of methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 412.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropyl-6-[(2-methoxyphenyl)methylcarbamoyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 50794444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).