methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate

C19H28N4O5 — CID 50794385

IUPACmethyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCCCOC(C)C)C2
InChIInChI=1S/C19H28N4O5/c1-12(2)28-9-5-8-20-18(26)19(3)10-22-11-21-14(17(25)27-4)15(22)16(24)23(19)13-6-7-13/h11-13H,5-10H2,1-4H3,(H,20,26)
InChIKeyPNDCBTPGXXLISN-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.98
Rot. Bonds8

About methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate

methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate (PubChem CID 50794385) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
PubChem CID50794385
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Namemethyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate
SMILESCOC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCCCOC(C)C)C2
InChIInChI=1S/C19H28N4O5/c1-12(2)28-9-5-8-20-18(26)19(3)10-22-11-21-14(17(25)27-4)15(22)16(24)23(19)13-6-7-13/h11-13H,5-10H2,1-4H3,(H,20,26)
InChIKeyPNDCBTPGXXLISN-UHFFFAOYSA-N
XLogP0.98
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The IUPAC name of methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate (CID 50794385) is methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate.
What is the SMILES notation for methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The canonical SMILES for methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate is COC(=O)c1ncn2c1C(=O)N(C1CC1)C(C)(C(=O)NCCCOC(C)C)C2.
What is the InChIKey of methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
The InChIKey is PNDCBTPGXXLISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-12(2)28-9-5-8-20-18(26)19(3)10-22-11-21-14(17(25)27-4)15(22)16(24)23(19)13-6-7-13/h11-13H,5-10H2,1-4H3,(H,20,26).
What are the key properties of methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate?
methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropyl-6-methyl-8-oxo-6-(3-propan-2-yloxypropylcarbamoyl)-5H-imidazo[1,5-a]pyrazine-1-carboxylate is sourced from PubChem (CID 50794385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).