4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine

C18H26N4O2S — CID 110102022

IUPAC4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C18H26N4O2S/c1-14(2)22-18(5-9-20-22)17-13-16(4-8-19-17)12-15-6-10-21(11-7-15)25(3,23)24/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3
InChIKeyYAZDESMDCARMEH-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.74
Rot. Bonds5

About 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine

4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine (PubChem CID 110102022) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
PubChem CID110102022
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
SMILESCC(C)n1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C18H26N4O2S/c1-14(2)22-18(5-9-20-22)17-13-16(4-8-19-17)12-15-6-10-21(11-7-15)25(3,23)24/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3
InChIKeyYAZDESMDCARMEH-UHFFFAOYSA-N
XLogP2.74
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine (CID 110102022) is 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine is CC(C)n1nccc1-c1cc(CC2CCN(S(C)(=O)=O)CC2)ccn1.
What is the InChIKey of 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The InChIKey is YAZDESMDCARMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-14(2)22-18(5-9-20-22)17-13-16(4-8-19-17)12-15-6-10-21(11-7-15)25(3,23)24/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3.
What are the key properties of 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine has a molecular weight of 362.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 110102022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).