2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine

C20H20Cl2N4O — CID 150865455

IUPAC2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine
SMILESClc1ccc(COc2cccc(-c3cnn(C4CCNCC4)c3)n2)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O/c21-16-5-4-14(18(22)10-16)13-27-20-3-1-2-19(25-20)15-11-24-26(12-15)17-6-8-23-9-7-17/h1-5,10-12,17,23H,6-9,13H2
InChIKeyKSYKWQZRDKYHEQ-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.76
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine

2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine (PubChem CID 150865455) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine
PubChem CID150865455
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine
SMILESClc1ccc(COc2cccc(-c3cnn(C4CCNCC4)c3)n2)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O/c21-16-5-4-14(18(22)10-16)13-27-20-3-1-2-19(25-20)15-11-24-26(12-15)17-6-8-23-9-7-17/h1-5,10-12,17,23H,6-9,13H2
InChIKeyKSYKWQZRDKYHEQ-UHFFFAOYSA-N
XLogP4.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine (CID 150865455) is 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine is Clc1ccc(COc2cccc(-c3cnn(C4CCNCC4)c3)n2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The InChIKey is KSYKWQZRDKYHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c21-16-5-4-14(18(22)10-16)13-27-20-3-1-2-19(25-20)15-11-24-26(12-15)17-6-8-23-9-7-17/h1-5,10-12,17,23H,6-9,13H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine has a molecular weight of 403.31 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 150865455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).