6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one

C17H17N3O2 — CID 145058171

IUPAC6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one
SMILESCOc1ccc(-c2cccc3c2NC2(CC2)CC(=O)N3)cn1
InChIInChI=1S/C17H17N3O2/c1-22-15-6-5-11(10-18-15)12-3-2-4-13-16(12)20-17(7-8-17)9-14(21)19-13/h2-6,10,20H,7-9H2,1H3,(H,19,21)
InChIKeyPCZGZXGAITUJKN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.04
Rot. Bonds2

About 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one

6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one (PubChem CID 145058171) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one
PubChem CID145058171
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one
SMILESCOc1ccc(-c2cccc3c2NC2(CC2)CC(=O)N3)cn1
InChIInChI=1S/C17H17N3O2/c1-22-15-6-5-11(10-18-15)12-3-2-4-13-16(12)20-17(7-8-17)9-14(21)19-13/h2-6,10,20H,7-9H2,1H3,(H,19,21)
InChIKeyPCZGZXGAITUJKN-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one 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-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one (CID 145058171) is 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one is COc1ccc(-c2cccc3c2NC2(CC2)CC(=O)N3)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one?
The InChIKey is PCZGZXGAITUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-15-6-5-11(10-18-15)12-3-2-4-13-16(12)20-17(7-8-17)9-14(21)19-13/h2-6,10,20H,7-9H2,1H3,(H,19,21).
What are the key properties of 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one?
6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-4,1'-cyclopropane]-2-one is sourced from PubChem (CID 145058171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).