7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C27H28FN5O4 — CID 53084126

IUPAC7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2ccc(F)cc2)C3)cc1
InChIInChI=1S/C27H28FN5O4/c1-3-37-21-12-8-19(9-13-21)31-24(34)22-23-25(35)33(20-10-11-20)27(2,15-32(23)16-30-22)26(36)29-14-17-4-6-18(28)7-5-17/h4-9,12-13,16,20H,3,10-11,14-15H2,1-2H3,(H,29,36)(H,31,34)
InChIKeyFEHTXLLUEYAYEG-UHFFFAOYSA-N
MW505.55 g/mol
LogP3.37
Rot. Bonds8

About 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084126) has the molecular formula C27H28FN5O4 and a molecular weight of 505.55 g/mol. Its IUPAC name is 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53084126
Molecular FormulaC27H28FN5O4
Molecular Weight505.55 g/mol
Exact Mass505.21
IUPAC Name7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2ccc(F)cc2)C3)cc1
InChIInChI=1S/C27H28FN5O4/c1-3-37-21-12-8-19(9-13-21)31-24(34)22-23-25(35)33(20-10-11-20)27(2,15-32(23)16-30-22)26(36)29-14-17-4-6-18(28)7-5-17/h4-9,12-13,16,20H,3,10-11,14-15H2,1-2H3,(H,29,36)(H,31,34)
InChIKeyFEHTXLLUEYAYEG-UHFFFAOYSA-N
XLogP3.37
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084126) is 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCOc1ccc(NC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2ccc(F)cc2)C3)cc1.
What is the InChIKey of 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is FEHTXLLUEYAYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O4/c1-3-37-21-12-8-19(9-13-21)31-24(34)22-23-25(35)33(20-10-11-20)27(2,15-32(23)16-30-22)26(36)29-14-17-4-6-18(28)7-5-17/h4-9,12-13,16,20H,3,10-11,14-15H2,1-2H3,(H,29,36)(H,31,34).
What are the key properties of 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 505.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-N-(4-ethoxyphenyl)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).