7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C29H33N5O4 — CID 53084348

IUPAC7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2cccc(C)c2)C3)cc1
InChIInChI=1S/C29H33N5O4/c1-4-38-23-12-8-20(9-13-23)15-30-26(35)24-25-27(36)34(22-10-11-22)29(3,17-33(25)18-32-24)28(37)31-16-21-7-5-6-19(2)14-21/h5-9,12-14,18,22H,4,10-11,15-17H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyZEUBLQYRXLVINS-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.21
Rot. Bonds9

About 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 53084348) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID53084348
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2cccc(C)c2)C3)cc1
InChIInChI=1S/C29H33N5O4/c1-4-38-23-12-8-20(9-13-23)15-30-26(35)24-25-27(36)34(22-10-11-22)29(3,17-33(25)18-32-24)28(37)31-16-21-7-5-6-19(2)14-21/h5-9,12-14,18,22H,4,10-11,15-17H2,1-3H3,(H,30,35)(H,31,37)
InChIKeyZEUBLQYRXLVINS-UHFFFAOYSA-N
XLogP3.21
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 53084348) is 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCOc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)C(C)(C(=O)NCc2cccc(C)c2)C3)cc1.
What is the InChIKey of 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is ZEUBLQYRXLVINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-4-38-23-12-8-20(9-13-23)15-30-26(35)24-25-27(36)34(22-10-11-22)29(3,17-33(25)18-32-24)28(37)31-16-21-7-5-6-19(2)14-21/h5-9,12-14,18,22H,4,10-11,15-17H2,1-3H3,(H,30,35)(H,31,37).
What are the key properties of 7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 515.61 g/mol, XLogP of 3.21, 9 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)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 53084348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).