4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine

C17H21ClN4O2 — CID 162764691

IUPAC4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine
SMILESClc1cc(-c2ccnn2C2CCCCO2)nc(N2CCOCC2)c1
InChIInChI=1S/C17H21ClN4O2/c18-13-11-14(20-16(12-13)21-6-9-23-10-7-21)15-4-5-19-22(15)17-3-1-2-8-24-17/h4-5,11-12,17H,1-3,6-10H2
InChIKeyXAWGYHSLKRUHSM-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.13
Rot. Bonds3

About 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine

4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 162764691) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine
PubChem CID162764691
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine
SMILESClc1cc(-c2ccnn2C2CCCCO2)nc(N2CCOCC2)c1
InChIInChI=1S/C17H21ClN4O2/c18-13-11-14(20-16(12-13)21-6-9-23-10-7-21)15-4-5-19-22(15)17-3-1-2-8-24-17/h4-5,11-12,17H,1-3,6-10H2
InChIKeyXAWGYHSLKRUHSM-UHFFFAOYSA-N
XLogP3.13
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine 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 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine (CID 162764691) is 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine is Clc1cc(-c2ccnn2C2CCCCO2)nc(N2CCOCC2)c1.
What is the InChIKey of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is XAWGYHSLKRUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-13-11-14(20-16(12-13)21-6-9-23-10-7-21)15-4-5-19-22(15)17-3-1-2-8-24-17/h4-5,11-12,17H,1-3,6-10H2.
What are the key properties of 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine?
4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 348.83 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 162764691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).