[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C15H23N3O3 — CID 71924834

IUPAC[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCOCCCOC1CN(C(=O)c2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C15H23N3O3/c1-20-7-4-8-21-11-9-18(10-11)15(19)14-12-5-2-3-6-13(12)16-17-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyUNTBPPXKIQRSJK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.17
Rot. Bonds6

About [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 71924834) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID71924834
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCOCCCOC1CN(C(=O)c2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C15H23N3O3/c1-20-7-4-8-21-11-9-18(10-11)15(19)14-12-5-2-3-6-13(12)16-17-14/h11H,2-10H2,1H3,(H,16,17)
InChIKeyUNTBPPXKIQRSJK-UHFFFAOYSA-N
XLogP1.17
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone 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 [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 71924834) is [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is COCCCOC1CN(C(=O)c2n[nH]c3c2CCCC3)C1.
What is the InChIKey of [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is UNTBPPXKIQRSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-7-4-8-21-11-9-18(10-11)15(19)14-12-5-2-3-6-13(12)16-17-14/h11H,2-10H2,1H3,(H,16,17).
What are the key properties of [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropoxy)azetidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 71924834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).