N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide

C24H27FN4OS — CID 170041526

IUPACN-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
SMILESCC(NS(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ccc(C#N)nc3)c(F)cc12
InChIInChI=1S/C24H27FN4OS/c1-15(28-31(30)18-7-8-18)21-13-29(14-24(2,3)4)23-10-19(22(25)9-20(21)23)16-5-6-17(11-26)27-12-16/h5-6,9-10,12-13,15,18,28H,7-8,14H2,1-4H3
InChIKeyZRMMOUBBNNDDLA-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.24
Rot. Bonds6

About N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide

N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide (PubChem CID 170041526) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide.

Molecular Properties

Compound NameN-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
PubChem CID170041526
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC NameN-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
SMILESCC(NS(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ccc(C#N)nc3)c(F)cc12
InChIInChI=1S/C24H27FN4OS/c1-15(28-31(30)18-7-8-18)21-13-29(14-24(2,3)4)23-10-19(22(25)9-20(21)23)16-5-6-17(11-26)27-12-16/h5-6,9-10,12-13,15,18,28H,7-8,14H2,1-4H3
InChIKeyZRMMOUBBNNDDLA-UHFFFAOYSA-N
XLogP5.24
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956586
N-[1-[6-(5-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
CID 168956842
N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
CID 170041467
N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
CID 168956824
N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956638
N-[1-[6-(3-cyano-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956815
N-[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-(5-fluoro-3-pyridinyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956690
N-[(1R)-1-[6-(2-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345329
1-[6-(4-chloro-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-N-cyclopropylsulfanylethanamine
CID 170041561
N-[[6-(3-chloro-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfinamide
CID 168957014
3-[3-(1-amino-2,2,2-trifluoroethyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-6-yl]pyridine-4-carbonitrile
CID 169304469
N-[(1R)-1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-fluoro-6-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclobutanesulfonamide
CID 170345390

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
The IUPAC name of N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide (CID 170041526) is N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide.
What is the SMILES notation for N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
The canonical SMILES for N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide is CC(NS(=O)C1CC1)c1cn(CC(C)(C)C)c2cc(-c3ccc(C#N)nc3)c(F)cc12.
What is the InChIKey of N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
The InChIKey is ZRMMOUBBNNDDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c1-15(28-31(30)18-7-8-18)21-13-29(14-24(2,3)4)23-10-19(22(25)9-20(21)23)16-5-6-17(11-26)27-12-16/h5-6,9-10,12-13,15,18,28H,7-8,14H2,1-4H3.
What are the key properties of N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide has a molecular weight of 438.57 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide is sourced from PubChem (CID 170041526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).