5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine

C18H22N4O2S — CID 175925950

IUPAC5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine
SMILESCC1=CC=CCN1c1cc(-n2ccc(S(=O)(=O)C(C)C)n2)ncc1C
InChIInChI=1S/C18H22N4O2S/c1-13(2)25(23,24)18-8-10-22(20-18)17-11-16(14(3)12-19-17)21-9-6-5-7-15(21)4/h5-8,10-13H,9H2,1-4H3
InChIKeyLFVVTEJUSNWEMJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.04
Rot. Bonds4

About 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine

5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine (PubChem CID 175925950) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine
PubChem CID175925950
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine
SMILESCC1=CC=CCN1c1cc(-n2ccc(S(=O)(=O)C(C)C)n2)ncc1C
InChIInChI=1S/C18H22N4O2S/c1-13(2)25(23,24)18-8-10-22(20-18)17-11-16(14(3)12-19-17)21-9-6-5-7-15(21)4/h5-8,10-13H,9H2,1-4H3
InChIKeyLFVVTEJUSNWEMJ-UHFFFAOYSA-N
XLogP3.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine?
The IUPAC name of 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine (CID 175925950) is 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine.
What is the SMILES notation for 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine?
The canonical SMILES for 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine is CC1=CC=CCN1c1cc(-n2ccc(S(=O)(=O)C(C)C)n2)ncc1C.
What is the InChIKey of 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine?
The InChIKey is LFVVTEJUSNWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13(2)25(23,24)18-8-10-22(20-18)17-11-16(14(3)12-19-17)21-9-6-5-7-15(21)4/h5-8,10-13H,9H2,1-4H3.
What are the key properties of 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine?
5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine has a molecular weight of 358.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(6-methyl-2H-pyridin-1-yl)-2-(3-propan-2-ylsulfonylpyrazol-1-yl)pyridine is sourced from PubChem (CID 175925950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).