2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide

C16H15FN6O3S — CID 155193523

IUPAC2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C16H15FN6O3S/c1-16(2,15(19)24)23-8-10(7-21-23)27(25,26)22-12-4-3-11(17)13-9(5-18)6-20-14(12)13/h3-4,6-8,20,22H,1-2H3,(H2,19,24)
InChIKeyIVTITYZSBGQAER-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.40
Rot. Bonds5

About 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide

2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide (PubChem CID 155193523) has the molecular formula C16H15FN6O3S and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide
PubChem CID155193523
Molecular FormulaC16H15FN6O3S
Molecular Weight390.40 g/mol
Exact Mass390.09
IUPAC Name2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1
InChIInChI=1S/C16H15FN6O3S/c1-16(2,15(19)24)23-8-10(7-21-23)27(25,26)22-12-4-3-11(17)13-9(5-18)6-20-14(12)13/h3-4,6-8,20,22H,1-2H3,(H2,19,24)
InChIKeyIVTITYZSBGQAER-UHFFFAOYSA-N
XLogP1.40
TPSA146.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2S)-1-hydroxypropan-2-yl]pyrazole-4-sulfonamide
CID 155708755
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193428
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155708719
N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide
CID 174262180
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-[(2R)-1-fluoropropan-2-yl]pyrazole-4-sulfonamide
CID 155193431
1-[(2R)-1-amino-1-hydroxypropan-2-yl]-N-(4-chloro-3-cyano-1H-indol-7-yl)pyrazole-4-sulfonamide
CID 167077237
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-[(2R)-2-hydroxypropyl]pyrazole-4-sulfonamide
CID 155193640
2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-N-(3,3-difluorocyclobutyl)acetamide
CID 155708771
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
N-(4-chloro-3-cyano-1H-indol-7-yl)-1-(cyclopropylmethyl)pyrazole-4-sulfonamide
CID 155193709
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide (CID 155193523) is 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)n1cc(S(=O)(=O)Nc2ccc(F)c3c(C#N)c[nH]c23)cn1.
What is the InChIKey of 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is IVTITYZSBGQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O3S/c1-16(2,15(19)24)23-8-10(7-21-23)27(25,26)22-12-4-3-11(17)13-9(5-18)6-20-14(12)13/h3-4,6-8,20,22H,1-2H3,(H2,19,24).
What are the key properties of 2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide?
2-[4-[(3-cyano-4-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 390.40 g/mol, XLogP of 1.40, 5 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-fluoro-1H-indol-7-yl)sulfamoyl]pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 155193523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).