N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide

C15H16FN7O2S — CID 68941368

IUPACN-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCc1cc(Nc2cncc(Nc3ccc(F)c(NS(C)(=O)=O)c3)n2)n[nH]1
InChIInChI=1S/C15H16FN7O2S/c1-9-5-13(22-21-9)19-15-8-17-7-14(20-15)18-10-3-4-11(16)12(6-10)23-26(2,24)25/h3-8,23H,1-2H3,(H3,18,19,20,21,22)
InChIKeyDCQRKOPGVBZHQX-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.51
Rot. Bonds6

About N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide

N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 68941368) has the molecular formula C15H16FN7O2S and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide
PubChem CID68941368
Molecular FormulaC15H16FN7O2S
Molecular Weight377.41 g/mol
Exact Mass377.11
IUPAC NameN-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide
SMILESCc1cc(Nc2cncc(Nc3ccc(F)c(NS(C)(=O)=O)c3)n2)n[nH]1
InChIInChI=1S/C15H16FN7O2S/c1-9-5-13(22-21-9)19-15-8-17-7-14(20-15)18-10-3-4-11(16)12(6-10)23-26(2,24)25/h3-8,23H,1-2H3,(H3,18,19,20,21,22)
InChIKeyDCQRKOPGVBZHQX-UHFFFAOYSA-N
XLogP2.51
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-fluoro-5-[(6-phenylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 25138206
N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761228
6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CID 68879370
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
methyl N-cyano-N-[3-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]carbamate
CID 87648041
3,4-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 55260020
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
CID 43731864
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide (CID 68941368) is N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide is Cc1cc(Nc2cncc(Nc3ccc(F)c(NS(C)(=O)=O)c3)n2)n[nH]1.
What is the InChIKey of N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is DCQRKOPGVBZHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7O2S/c1-9-5-13(22-21-9)19-15-8-17-7-14(20-15)18-10-3-4-11(16)12(6-10)23-26(2,24)25/h3-8,23H,1-2H3,(H3,18,19,20,21,22).
What are the key properties of N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide?
N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 377.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 68941368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).