N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C24H21F2N7O2S — CID 118249308

IUPACN-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(Nc2cc(-c3cnc(C)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccn2)nc(C2CC2)n1
InChIInChI=1S/C24H21F2N7O2S/c1-13-20(33-36(34,35)21-6-5-18(25)11-19(21)26)9-17(12-28-13)16-7-8-27-22(10-16)31-24-30-14(2)29-23(32-24)15-3-4-15/h5-12,15,33H,3-4H2,1-2H3,(H,27,29,30,31,32)
InChIKeyYZQBWQOBFKPFMF-UHFFFAOYSA-N
MW509.54 g/mol
LogP4.65
Rot. Bonds7

About N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 118249308) has the molecular formula C24H21F2N7O2S and a molecular weight of 509.54 g/mol. Its IUPAC name is N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID118249308
Molecular FormulaC24H21F2N7O2S
Molecular Weight509.54 g/mol
Exact Mass509.14
IUPAC NameN-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCc1nc(Nc2cc(-c3cnc(C)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccn2)nc(C2CC2)n1
InChIInChI=1S/C24H21F2N7O2S/c1-13-20(33-36(34,35)21-6-5-18(25)11-19(21)26)9-17(12-28-13)16-7-8-27-22(10-16)31-24-30-14(2)29-23(32-24)15-3-4-15/h5-12,15,33H,3-4H2,1-2H3,(H,27,29,30,31,32)
InChIKeyYZQBWQOBFKPFMF-UHFFFAOYSA-N
XLogP4.65
TPSA122.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Related Compounds

2,4-difluoro-N-[2-methyl-5-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 118249359
N-[4-[5-[(2-fluoro-4-methylphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 123714762
[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamoyl-methylideneoxidanium
CID 123927524
N-[4-[5-[(2-fluoro-4-methoxyphenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293549
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 141471209
N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[6-chloro-5-[(2-fluoro-4-methylphenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;2-fluoro-4-methyl-N-[2-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide;methane
CID 158181315
2,4-difluoro-N-[2-methyl-5-(4-methyl-6-morpholin-4-ylpyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71229040
N-[5-[8-(3-chloro-4-fluoroanilino)-1,5-naphthyridin-2-yl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 137371140
N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-4,6-dimethyl-3-pyridinyl]-2-pyridinyl]-2-methoxypyrimidin-4-amine
CID 157398495
N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylthieno[2,3-d]pyrimidin-2-yl]cyclopropanecarboxamide
CID 141471203
2,4-difluoro-N-[2-(methylamino)-5-[2-(2-oxopropyl)-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 161390016
N-[5-[2-(4-chloro-6-methylpyrimidin-5-yl)ethynyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 88919578

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 118249308) is N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide is Cc1nc(Nc2cc(-c3cnc(C)c(NS(=O)(=O)c4ccc(F)cc4F)c3)ccn2)nc(C2CC2)n1.
What is the InChIKey of N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is YZQBWQOBFKPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2S/c1-13-20(33-36(34,35)21-6-5-18(25)11-19(21)26)9-17(12-28-13)16-7-8-27-22(10-16)31-24-30-14(2)29-23(32-24)15-3-4-15/h5-12,15,33H,3-4H2,1-2H3,(H,27,29,30,31,32).
What are the key properties of N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 509.54 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-cyclopropyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-pyridinyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 118249308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).