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

C24H29ClFN3OS — CID 168956824

IUPACN-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
SMILESCCC(C)(C)Cn1cc(C(C)NS(=O)C2CC2)c2cc(F)c(-c3ncccc3Cl)cc21
InChIInChI=1S/C24H29ClFN3OS/c1-5-24(3,4)14-29-13-19(15(2)28-31(30)16-8-9-16)17-11-21(26)18(12-22(17)29)23-20(25)7-6-10-27-23/h6-7,10-13,15-16,28H,5,8-9,14H2,1-4H3
InChIKeyULVBYOXMLGMACQ-UHFFFAOYSA-N
MW462.03 g/mol
LogP6.41
Rot. Bonds8

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

N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide (PubChem CID 168956824) has the molecular formula C24H29ClFN3OS and a molecular weight of 462.03 g/mol. Its IUPAC name is N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide.

Molecular Properties

Compound NameN-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
PubChem CID168956824
Molecular FormulaC24H29ClFN3OS
Molecular Weight462.03 g/mol
Exact Mass461.17
IUPAC NameN-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
SMILESCCC(C)(C)Cn1cc(C(C)NS(=O)C2CC2)c2cc(F)c(-c3ncccc3Cl)cc21
InChIInChI=1S/C24H29ClFN3OS/c1-5-24(3,4)14-29-13-19(15(2)28-31(30)16-8-9-16)17-11-21(26)18(12-22(17)29)23-20(25)7-6-10-27-23/h6-7,10-13,15-16,28H,5,8-9,14H2,1-4H3
InChIKeyULVBYOXMLGMACQ-UHFFFAOYSA-N
XLogP6.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.03
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[1-[6-(6-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
CID 170041526
1-[6-(3-cyclopropyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-N-cyclopropylsulfanylethanamine
CID 168956944
N-[1-[6-(5-cyano-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide
CID 168956842
N-[[1-(2,2-dimethylpropyl)-5-fluoro-6-[3-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methyl]cyclopropanesulfinamide
CID 168956591
N-[1-[6-(3-cyano-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956815
N-[(1R)-1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)indol-3-yl]ethyl]cyclopropanesulfonamide
CID 170345331
N-[[6-(3-chloro-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfinamide
CID 168957014
1-[6-(4-chloro-3-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-N-cyclopropylsulfanylethanamine
CID 170041561
(4S)-4-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indol-3-yl]-5,5-difluoro-2-methylpentane-2-sulfinamide
CID 169304751
N-[1-[6-(3-cyano-5-fluoro-2-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfonamide
CID 168956638
N-[[6-[2-cyano-4-(trifluoromethyl)-3-pyridinyl]-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]methyl]cyclopropanesulfonamide;N-[[6-[3-(difluoromethyl)-2-pyridinyl]-1-(2,2-dimethylbutyl)indol-3-yl]methyl]cyclopropanesulfonamide
CID 168956874
tert-butyl-[[1-[1-(2,2-dimethylpropyl)-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indol-3-yl]-2,2,2-trifluoroethyl]amino]-oxidosulfanium
CID 174059922

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
The IUPAC name of N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide (CID 168956824) is N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide.
What is the SMILES notation for N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
The canonical SMILES for N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide is CCC(C)(C)Cn1cc(C(C)NS(=O)C2CC2)c2cc(F)c(-c3ncccc3Cl)cc21.
What is the InChIKey of N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
The InChIKey is ULVBYOXMLGMACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3OS/c1-5-24(3,4)14-29-13-19(15(2)28-31(30)16-8-9-16)17-11-21(26)18(12-22(17)29)23-20(25)7-6-10-27-23/h6-7,10-13,15-16,28H,5,8-9,14H2,1-4H3.
What are the key properties of N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide?
N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide has a molecular weight of 462.03 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-chloro-2-pyridinyl)-1-(2,2-dimethylbutyl)-5-fluoroindol-3-yl]ethyl]cyclopropanesulfinamide is sourced from PubChem (CID 168956824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).