[(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone

C17H24N6O2 — CID 97463402

IUPAC[(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone
SMILESCN(C)CCOC[C@@H]1CN(C(=O)c2ccnnc2)Cc2ccnn2C1
InChIInChI=1S/C17H24N6O2/c1-21(2)7-8-25-13-14-10-22(12-16-4-6-20-23(16)11-14)17(24)15-3-5-18-19-9-15/h3-6,9,14H,7-8,10-13H2,1-2H3/t14-/m1/s1
InChIKeyJMYJXKDTMHUZEQ-CQSZACIVSA-N
MW344.42 g/mol
LogP0.52
Rot. Bonds6

About [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone

[(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone (PubChem CID 97463402) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone
PubChem CID97463402
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone
SMILESCN(C)CCOC[C@@H]1CN(C(=O)c2ccnnc2)Cc2ccnn2C1
InChIInChI=1S/C17H24N6O2/c1-21(2)7-8-25-13-14-10-22(12-16-4-6-20-23(16)11-14)17(24)15-3-5-18-19-9-15/h3-6,9,14H,7-8,10-13H2,1-2H3/t14-/m1/s1
InChIKeyJMYJXKDTMHUZEQ-CQSZACIVSA-N
XLogP0.52
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone 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 [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone (CID 97463402) is [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone is CN(C)CCOC[C@@H]1CN(C(=O)c2ccnnc2)Cc2ccnn2C1.
What is the InChIKey of [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
The InChIKey is JMYJXKDTMHUZEQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)7-8-25-13-14-10-22(12-16-4-6-20-23(16)11-14)17(24)15-3-5-18-19-9-15/h3-6,9,14H,7-8,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone?
[(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97463402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).