N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide

C19H22N4O4 — CID 71162173

IUPACN-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide
SMILESCOc1ccc(CN2C(=O)C(=O)n3cncc3C2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H22N4O4/c1-19(2,3)21-16(24)15-14-9-20-11-23(14)18(26)17(25)22(15)10-12-5-7-13(27-4)8-6-12/h5-9,11,15H,10H2,1-4H3,(H,21,24)
InChIKeyNWWAJQBJUJAUNE-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.53
Rot. Bonds4

About N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide

N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide (PubChem CID 71162173) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide
PubChem CID71162173
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide
SMILESCOc1ccc(CN2C(=O)C(=O)n3cncc3C2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H22N4O4/c1-19(2,3)21-16(24)15-14-9-20-11-23(14)18(26)17(25)22(15)10-12-5-7-13(27-4)8-6-12/h5-9,11,15H,10H2,1-4H3,(H,21,24)
InChIKeyNWWAJQBJUJAUNE-UHFFFAOYSA-N
XLogP1.53
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide?
The IUPAC name of N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide (CID 71162173) is N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide?
The canonical SMILES for N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide is COc1ccc(CN2C(=O)C(=O)n3cncc3C2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide?
The InChIKey is NWWAJQBJUJAUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-19(2,3)21-16(24)15-14-9-20-11-23(14)18(26)17(25)22(15)10-12-5-7-13(27-4)8-6-12/h5-9,11,15H,10H2,1-4H3,(H,21,24).
What are the key properties of N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide?
N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-[(4-methoxyphenyl)methyl]-5,6-dioxo-8H-imidazo[1,5-a]pyrazine-8-carboxamide is sourced from PubChem (CID 71162173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).