N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide

C23H23F3N4O3S — CID 171771882

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1c2cccc(F)c2nn1CC1CCC(F)(F)C1
InChIInChI=1S/C23H23F3N4O3S/c24-19-6-2-5-18-20(19)28-30(13-14-9-10-23(25,26)12-14)21(18)22(31)27-16-3-1-4-17(11-16)34(32,33)29-15-7-8-15/h1-6,11,14-15,29H,7-10,12-13H2,(H,27,31)
InChIKeyRJDWYTMWLBKQTE-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.30
Rot. Bonds7

About N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide

N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide (PubChem CID 171771882) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide
PubChem CID171771882
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1c2cccc(F)c2nn1CC1CCC(F)(F)C1
InChIInChI=1S/C23H23F3N4O3S/c24-19-6-2-5-18-20(19)28-30(13-14-9-10-23(25,26)12-14)21(18)22(31)27-16-3-1-4-17(11-16)34(32,33)29-15-7-8-15/h1-6,11,14-15,29H,7-10,12-13H2,(H,27,31)
InChIKeyRJDWYTMWLBKQTE-UHFFFAOYSA-N
XLogP4.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-fubinaca
CID 58124399
1H-Indazole-3-carboxamide, N-(1-(aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-
CID 86567357
(S)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-(5-fluoropentyl)-1H-indazole-3-carboxamide
CID 125369761
ab-fubinaca 3-fluorobenzyl isomer
CID 121230674
1-[2-[(1R,3S,5R)-3-(2,2-difluoroethylcarbamoyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72704274
1-[2-[(1R,3S,5R)-3-[(3,3-difluorocyclopentyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721681
1-{2-[(2S,4R)-4-Fluoro-2-((1R,2S)-2-phenyl-cyclopropylcarbamoyl)-pyrrolidin-1-yl]-2-oxo-ethyl}-1H-indazole-3-carboxylic acid amide
CID 72944380
1-[2-oxo-2-[(1R,3S,5R)-3-[[3-(pentafluoro-lambda6-sulfanyl)phenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
CID 118796778
1-[2-[Cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299510
Ab-fubinaca 3-fluorobenzyl isomer, (+-)-
CID 58124494
App-fubinaca
CID 58124515

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide (CID 171771882) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1c2cccc(F)c2nn1CC1CCC(F)(F)C1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide?
The InChIKey is RJDWYTMWLBKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c24-19-6-2-5-18-20(19)28-30(13-14-9-10-23(25,26)12-14)21(18)22(31)27-16-3-1-4-17(11-16)34(32,33)29-15-7-8-15/h1-6,11,14-15,29H,7-10,12-13H2,(H,27,31).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide has a molecular weight of 492.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide is sourced from PubChem (CID 171771882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).