4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine

C22H25ClN4O — CID 22953801

IUPAC4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine
SMILESCOCCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C22H25ClN4O/c1-28-15-14-27-12-8-18(9-13-27)22-20(16-6-10-24-11-7-16)21(25-26-22)17-2-4-19(23)5-3-17/h2-7,10-11,18H,8-9,12-15H2,1H3,(H,25,26)
InChIKeyYWQKKXCQKRAICT-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.62
Rot. Bonds6

About 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine

4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine (PubChem CID 22953801) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine
PubChem CID22953801
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine
SMILESCOCCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C22H25ClN4O/c1-28-15-14-27-12-8-18(9-13-27)22-20(16-6-10-24-11-7-16)21(25-26-22)17-2-4-19(23)5-3-17/h2-7,10-11,18H,8-9,12-15H2,1H3,(H,25,26)
InChIKeyYWQKKXCQKRAICT-UHFFFAOYSA-N
XLogP4.62
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine 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-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine (CID 22953801) is 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine is COCCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is YWQKKXCQKRAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-28-15-14-27-12-8-18(9-13-27)22-20(16-6-10-24-11-7-16)21(25-26-22)17-2-4-19(23)5-3-17/h2-7,10-11,18H,8-9,12-15H2,1H3,(H,25,26).
What are the key properties of 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine?
4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 396.92 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-[1-(2-methoxyethyl)piperidin-4-yl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22953801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).