N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

C17H20N4O4 — CID 67307432

IUPACN-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1ccccc1N(C(=O)N1CCN2C(=O)NC(=O)C2C1)C1CC1
InChIInChI=1S/C17H20N4O4/c1-25-14-5-3-2-4-12(14)21(11-6-7-11)17(24)19-8-9-20-13(10-19)15(22)18-16(20)23/h2-5,11,13H,6-10H2,1H3,(H,18,22,23)
InChIKeyFZHBOVLTHGHKOT-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.02
Rot. Bonds3

About N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 67307432) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID67307432
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1ccccc1N(C(=O)N1CCN2C(=O)NC(=O)C2C1)C1CC1
InChIInChI=1S/C17H20N4O4/c1-25-14-5-3-2-4-12(14)21(11-6-7-11)17(24)19-8-9-20-13(10-19)15(22)18-16(20)23/h2-5,11,13H,6-10H2,1H3,(H,18,22,23)
InChIKeyFZHBOVLTHGHKOT-UHFFFAOYSA-N
XLogP1.02
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 67307432) is N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is COc1ccccc1N(C(=O)N1CCN2C(=O)NC(=O)C2C1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is FZHBOVLTHGHKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-25-14-5-3-2-4-12(14)21(11-6-7-11)17(24)19-8-9-20-13(10-19)15(22)18-16(20)23/h2-5,11,13H,6-10H2,1H3,(H,18,22,23).
What are the key properties of N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67307432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).