N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide

C24H23FN4O3S — CID 66978166

IUPACN-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2ccc3cc(-n4cccn4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H23FN4O3S/c1-15-11-21(22(25)14-23(15)28-33(3,31)32)16(2)27-24(30)19-6-5-18-13-20(8-7-17(18)12-19)29-10-4-9-26-29/h4-14,16,28H,1-3H3,(H,27,30)/t16-/m1/s1
InChIKeyGLRDFDFEEOQMFR-MRXNPFEDSA-N
MW466.54 g/mol
LogP4.34
Rot. Bonds6

About N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide

N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide (PubChem CID 66978166) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide
PubChem CID66978166
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC NameN-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2ccc3cc(-n4cccn4)ccc3c2)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C24H23FN4O3S/c1-15-11-21(22(25)14-23(15)28-33(3,31)32)16(2)27-24(30)19-6-5-18-13-20(8-7-17(18)12-19)29-10-4-9-26-29/h4-14,16,28H,1-3H3,(H,27,30)/t16-/m1/s1
InChIKeyGLRDFDFEEOQMFR-MRXNPFEDSA-N
XLogP4.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide
CID 118021720
N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 10072401
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083
N-cyclopropyl-3-[1-(3,4-difluorophenyl)sulfonylindazol-5-yl]-5-fluoro-4-methylbenzamide
CID 44528589
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 58138789
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138880
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
4-fluoro-N-({1-[5-methyl-2-(1H-pyrazol-1-yl)benzyl]-3-piperidinyl}methyl)benzamide
CID 16189133
N-[3-[3-[3-amino-4-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)pyrazol-1-yl]phenyl]phenyl]methanesulfonamide
CID 46231583

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide (CID 66978166) is N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide is Cc1cc([C@@H](C)NC(=O)c2ccc3cc(-n4cccn4)ccc3c2)c(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
The InChIKey is GLRDFDFEEOQMFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15-11-21(22(25)14-23(15)28-33(3,31)32)16(2)27-24(30)19-6-5-18-13-20(8-7-17(18)12-19)29-10-4-9-26-29/h4-14,16,28H,1-3H3,(H,27,30)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide?
N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-fluoro-4-(methanesulfonamido)-5-methylphenyl]ethyl]-6-pyrazol-1-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 66978166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).