(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C16H19N3O2 — CID 171942167

IUPAC(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCn1ncc2ccc(C(=O)C3CC4COCC(C3)N4)cc21
InChIInChI=1S/C16H19N3O2/c1-19-15-6-10(2-3-11(15)7-17-19)16(20)12-4-13-8-21-9-14(5-12)18-13/h2-3,6-7,12-14,18H,4-5,8-9H2,1H3
InChIKeyBTXBWNNAJXOOLR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.52
Rot. Bonds2

About (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171942167) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171942167
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCn1ncc2ccc(C(=O)C3CC4COCC(C3)N4)cc21
InChIInChI=1S/C16H19N3O2/c1-19-15-6-10(2-3-11(15)7-17-19)16(20)12-4-13-8-21-9-14(5-12)18-13/h2-3,6-7,12-14,18H,4-5,8-9H2,1H3
InChIKeyBTXBWNNAJXOOLR-UHFFFAOYSA-N
XLogP1.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-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 (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171942167) is (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is Cn1ncc2ccc(C(=O)C3CC4COCC(C3)N4)cc21.
What is the InChIKey of (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is BTXBWNNAJXOOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-15-6-10(2-3-11(15)7-17-19)16(20)12-4-13-8-21-9-14(5-12)18-13/h2-3,6-7,12-14,18H,4-5,8-9H2,1H3.
What are the key properties of (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171942167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).