N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine

C23H17F2N3O2S — CID 164628037

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(Nc3ccnc(-c4cc(F)ccc4F)c3)ccn2)cc1
InChIInChI=1S/C23H17F2N3O2S/c1-31(29,30)19-5-2-15(3-6-19)22-13-17(8-10-26-22)28-18-9-11-27-23(14-18)20-12-16(24)4-7-21(20)25/h2-14H,1H3,(H,26,27,28)
InChIKeyQDFZWJGIFBXFLG-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.24
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine (PubChem CID 164628037) has the molecular formula C23H17F2N3O2S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine
PubChem CID164628037
Molecular FormulaC23H17F2N3O2S
Molecular Weight437.47 g/mol
Exact Mass437.10
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(Nc3ccnc(-c4cc(F)ccc4F)c3)ccn2)cc1
InChIInChI=1S/C23H17F2N3O2S/c1-31(29,30)19-5-2-15(3-6-19)22-13-17(8-10-26-22)28-18-9-11-27-23(14-18)20-12-16(24)4-7-21(20)25/h2-14H,1H3,(H,26,27,28)
InChIKeyQDFZWJGIFBXFLG-UHFFFAOYSA-N
XLogP5.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine (CID 164628037) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine is CS(=O)(=O)c1ccc(-c2cc(Nc3ccnc(-c4cc(F)ccc4F)c3)ccn2)cc1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine?
The InChIKey is QDFZWJGIFBXFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2S/c1-31(29,30)19-5-2-15(3-6-19)22-13-17(8-10-26-22)28-18-9-11-27-23(14-18)20-12-16(24)4-7-21(20)25/h2-14H,1H3,(H,26,27,28).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine has a molecular weight of 437.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-2-(4-methylsulfonylphenyl)pyridin-4-amine is sourced from PubChem (CID 164628037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).