4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine

C23H18F2N4O2S — CID 149489923

IUPAC4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCc1ncc(-c2ccnc(Nc3ccccn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N4O2S/c1-15-18(14-32(30,31)21-6-5-19(24)12-20(21)25)10-17(13-28-15)16-7-9-27-23(11-16)29-22-4-2-3-8-26-22/h2-13H,14H2,1H3,(H,26,27,29)
InChIKeyZEWRYWQFCWNAOL-UHFFFAOYSA-N
MW452.49 g/mol
LogP4.84
Rot. Bonds6

About 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine

4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 149489923) has the molecular formula C23H18F2N4O2S and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID149489923
Molecular FormulaC23H18F2N4O2S
Molecular Weight452.49 g/mol
Exact Mass452.11
IUPAC Name4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCc1ncc(-c2ccnc(Nc3ccccn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N4O2S/c1-15-18(14-32(30,31)21-6-5-19(24)12-20(21)25)10-17(13-28-15)16-7-9-27-23(11-16)29-22-4-2-3-8-26-22/h2-13H,14H2,1H3,(H,26,27,29)
InChIKeyZEWRYWQFCWNAOL-UHFFFAOYSA-N
XLogP4.84
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine with MolForge

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Related Compounds

(3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16058650
Mmv-048
CID 53311393
2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192866
N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CID 11525190
1-(2,5-Difluoro-benzenesulfonyl)-7-[6-(4-methylpiperazin-1-yl)-pyridin-3-yl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazine
CID 46906670
2-isopropyl-7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52942485
5-(4-Methylsulfonylphenyl)-3-(3-pyridyl)pyridin-2-amine
CID 53311135
5-(4-Methylsulfonylphenyl)-3-(6-pyrrolidin-1-yl-3-pyridyl)pyridin-2-amine
CID 53311306
5-(4-Methylsulfonylphenyl)-3-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-amine
CID 53311310
3-(6-Methyl-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311392
3-(6-Fluoro-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311562
1-(5-Methylpyridin-2-yl)-1''-(4-(methylsulfonyl)phenyl)-4,4''-bipiperidine
CID 54585808

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine (CID 149489923) is 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine is Cc1ncc(-c2ccnc(Nc3ccccn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is ZEWRYWQFCWNAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2S/c1-15-18(14-32(30,31)21-6-5-19(24)12-20(21)25)10-17(13-28-15)16-7-9-27-23(11-16)29-22-4-2-3-8-26-22/h2-13H,14H2,1H3,(H,26,27,29).
What are the key properties of 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine?
4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 452.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 149489923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).