5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine

C21H18N4O2S — CID 53311396

IUPAC5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-n4cccn4)cc3)c2)cc1
InChIInChI=1S/C21H18N4O2S/c1-28(26,27)19-9-5-15(6-10-19)17-13-20(21(22)23-14-17)16-3-7-18(8-4-16)25-12-2-11-24-25/h2-14H,1H3,(H2,22,23)
InChIKeyXDLRIGFEAQZOOK-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.59
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine

5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine (PubChem CID 53311396) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine
PubChem CID53311396
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-n4cccn4)cc3)c2)cc1
InChIInChI=1S/C21H18N4O2S/c1-28(26,27)19-9-5-15(6-10-19)17-13-20(21(22)23-14-17)16-3-7-18(8-4-16)25-12-2-11-24-25/h2-14H,1H3,(H2,22,23)
InChIKeyXDLRIGFEAQZOOK-UHFFFAOYSA-N
XLogP3.59
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine (CID 53311396) is 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-n4cccn4)cc3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
The InChIKey is XDLRIGFEAQZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-28(26,27)19-9-5-15(6-10-19)17-13-20(21(22)23-14-17)16-3-7-18(8-4-16)25-12-2-11-24-25/h2-14H,1H3,(H2,22,23).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine has a molecular weight of 390.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 53311396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).