(4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone

C23H21N3O3 — CID 71799366

IUPAC(4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C23H21N3O3/c27-23(26-14-11-16(12-15-26)28-21-10-5-13-24-25-21)22-17-6-1-3-8-19(17)29-20-9-4-2-7-18(20)22/h1-10,13,16,22H,11-12,14-15H2
InChIKeySFVFCAJEHDMDMU-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.78
Rot. Bonds3

About (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone

(4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone (PubChem CID 71799366) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name(4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
PubChem CID71799366
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C23H21N3O3/c27-23(26-14-11-16(12-15-26)28-21-10-5-13-24-25-21)22-17-6-1-3-8-19(17)29-20-9-4-2-7-18(20)22/h1-10,13,16,22H,11-12,14-15H2
InChIKeySFVFCAJEHDMDMU-UHFFFAOYSA-N
XLogP3.78
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-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

Related Compounds

CID 71799348
CID 71799348
CID 71799324
CID 71799324
CID 71799337
CID 71799337
CID 71799353
CID 71799353
CID 71799360
CID 71799360
CID 91627710
CID 91627710
CID 100621645
CID 100621645
CID 100638751
CID 100638751
CID 58334907
CID 58334907
CID 153069631
CID 153069631
CID 154587107
CID 154587107
CID 170242841
CID 170242841

Frequently Asked Questions

What is the IUPAC name of (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The IUPAC name of (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone (CID 71799366) is (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The canonical SMILES for (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The InChIKey is SFVFCAJEHDMDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-23(26-14-11-16(12-15-26)28-21-10-5-13-24-25-21)22-17-6-1-3-8-19(17)29-20-9-4-2-7-18(20)22/h1-10,13,16,22H,11-12,14-15H2.
What are the key properties of (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
(4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridazin-3-yloxypiperidin-1-yl)-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 71799366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).