2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide

C19H18F2N6O3S — CID 155708771

IUPAC2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CC(=O)NC3CC(F)(F)C3)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C19H18F2N6O3S/c1-11-2-3-15(18-17(11)12(6-22)7-23-18)26-31(29,30)14-8-24-27(9-14)10-16(28)25-13-4-19(20,21)5-13/h2-3,7-9,13,23,26H,4-5,10H2,1H3,(H,25,28)
InChIKeyUKTHEMZQYIBLCN-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.26
Rot. Bonds6

About 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide

2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide (PubChem CID 155708771) has the molecular formula C19H18F2N6O3S and a molecular weight of 448.46 g/mol. Its IUPAC name is 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide
PubChem CID155708771
Molecular FormulaC19H18F2N6O3S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC Name2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CC(=O)NC3CC(F)(F)C3)c2)c2[nH]cc(C#N)c12
InChIInChI=1S/C19H18F2N6O3S/c1-11-2-3-15(18-17(11)12(6-22)7-23-18)26-31(29,30)14-8-24-27(9-14)10-16(28)25-13-4-19(20,21)5-13/h2-3,7-9,13,23,26H,4-5,10H2,1H3,(H,25,28)
InChIKeyUKTHEMZQYIBLCN-UHFFFAOYSA-N
XLogP2.26
TPSA132.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide (CID 155708771) is 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide is Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)NC3CC(F)(F)C3)c2)c2[nH]cc(C#N)c12.
What is the InChIKey of 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is UKTHEMZQYIBLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O3S/c1-11-2-3-15(18-17(11)12(6-22)7-23-18)26-31(29,30)14-8-24-27(9-14)10-16(28)25-13-4-19(20,21)5-13/h2-3,7-9,13,23,26H,4-5,10H2,1H3,(H,25,28).
What are the key properties of 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide?
2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 448.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 155708771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).