N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide

C20H19FN6O2S — CID 59823385

IUPACN-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4ccc(NS(C)(=O)=O)cc4)n3)ccc2[nH]1
InChIInChI=1S/C20H19FN6O2S/c1-12-11-15-16(23-12)7-8-17(19(15)21)25-18-9-10-22-20(26-18)24-13-3-5-14(6-4-13)27-30(2,28)29/h3-11,23,27H,1-2H3,(H2,22,24,25,26)
InChIKeyJFRAUHNBYYSBKB-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.26
Rot. Bonds6

About N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide

N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 59823385) has the molecular formula C20H19FN6O2S and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID59823385
Molecular FormulaC20H19FN6O2S
Molecular Weight426.48 g/mol
Exact Mass426.13
IUPAC NameN-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
SMILESCc1cc2c(F)c(Nc3ccnc(Nc4ccc(NS(C)(=O)=O)cc4)n3)ccc2[nH]1
InChIInChI=1S/C20H19FN6O2S/c1-12-11-15-16(23-12)7-8-17(19(15)21)25-18-9-10-22-20(26-18)24-13-3-5-14(6-4-13)27-30(2,28)29/h3-11,23,27H,1-2H3,(H2,22,24,25,26)
InChIKeyJFRAUHNBYYSBKB-UHFFFAOYSA-N
XLogP4.26
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonic acid
CID 89427711
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol
CID 59823282
1,1,1-trifluoro-N-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71057264
2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25104267
3-[[4-[5-(methanesulfonamido)-2-methylanilino]pyrimidin-2-yl]amino]benzamide
CID 25138027
2-N-(4-bromophenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904489
2-N,4-N-bis(3-amino-2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 22060331
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90431551
N-[3-[[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 71225292
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate
CID 25104262
4-[[4-(3,4-dimethylanilino)pyrimidin-2-yl]amino]benzenesulfonyl chloride
CID 143391612

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide (CID 59823385) is N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide is Cc1cc2c(F)c(Nc3ccnc(Nc4ccc(NS(C)(=O)=O)cc4)n3)ccc2[nH]1.
What is the InChIKey of N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is JFRAUHNBYYSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2S/c1-12-11-15-16(23-12)7-8-17(19(15)21)25-18-9-10-22-20(26-18)24-13-3-5-14(6-4-13)27-30(2,28)29/h3-11,23,27H,1-2H3,(H2,22,24,25,26).
What are the key properties of N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide?
N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 426.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 59823385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).