6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione

C20H28N4O3 — CID 146068911

IUPAC6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
SMILESCC(C)CN1C(=O)C2CN(C(=O)Cc3ccncc3)CC(C)(C)CN2C1=O
InChIInChI=1S/C20H28N4O3/c1-14(2)10-23-18(26)16-11-22(12-20(3,4)13-24(16)19(23)27)17(25)9-15-5-7-21-8-6-15/h5-8,14,16H,9-13H2,1-4H3
InChIKeySCQAEONKCASSOH-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.78
Rot. Bonds4

About 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione

6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione (PubChem CID 146068911) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione.

Molecular Properties

Compound Name6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
PubChem CID146068911
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione
SMILESCC(C)CN1C(=O)C2CN(C(=O)Cc3ccncc3)CC(C)(C)CN2C1=O
InChIInChI=1S/C20H28N4O3/c1-14(2)10-23-18(26)16-11-22(12-20(3,4)13-24(16)19(23)27)17(25)9-15-5-7-21-8-6-15/h5-8,14,16H,9-13H2,1-4H3
InChIKeySCQAEONKCASSOH-UHFFFAOYSA-N
XLogP1.78
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione 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 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
The IUPAC name of 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione (CID 146068911) is 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione.
What is the SMILES notation for 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
The canonical SMILES for 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione is CC(C)CN1C(=O)C2CN(C(=O)Cc3ccncc3)CC(C)(C)CN2C1=O.
What is the InChIKey of 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
The InChIKey is SCQAEONKCASSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)10-23-18(26)16-11-22(12-20(3,4)13-24(16)19(23)27)17(25)9-15-5-7-21-8-6-15/h5-8,14,16H,9-13H2,1-4H3.
What are the key properties of 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione?
6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione has a molecular weight of 372.47 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(2-methylpropyl)-8-(2-pyridin-4-ylacetyl)-5,7,9,9a-tetrahydroimidazo[1,5-a][1,4]diazepine-1,3-dione is sourced from PubChem (CID 146068911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).