1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile

C23H20F3N3O2S — CID 143511054

IUPAC1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(N3CCCS3=O)cc2)n(C2CC2)c2cc(OCC(F)(F)F)ccc12
InChIInChI=1S/C23H20F3N3O2S/c24-23(25,26)14-31-18-8-9-19-20(13-27)22(29(17-6-7-17)21(19)12-18)15-2-4-16(5-3-15)28-10-1-11-32(28)30/h2-5,8-9,12,17H,1,6-7,10-11,14H2
InChIKeyHNFSDVIRHWMCBF-UHFFFAOYSA-N
MW459.49 g/mol
LogP5.33
Rot. Bonds5

About 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile

1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile (PubChem CID 143511054) has the molecular formula C23H20F3N3O2S and a molecular weight of 459.49 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
PubChem CID143511054
Molecular FormulaC23H20F3N3O2S
Molecular Weight459.49 g/mol
Exact Mass459.12
IUPAC Name1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
SMILESN#Cc1c(-c2ccc(N3CCCS3=O)cc2)n(C2CC2)c2cc(OCC(F)(F)F)ccc12
InChIInChI=1S/C23H20F3N3O2S/c24-23(25,26)14-31-18-8-9-19-20(13-27)22(29(17-6-7-17)21(19)12-18)15-2-4-16(5-3-15)28-10-1-11-32(28)30/h2-5,8-9,12,17H,1,6-7,10-11,14H2
InChIKeyHNFSDVIRHWMCBF-UHFFFAOYSA-N
XLogP5.33
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.49
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile with MolForge

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Related Compounds

1-cyclobutyl-2-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile;1-cyclopropylethanamine;formaldehyde
CID 143511042
1-ethyl-6-(2-morpholin-4-ylethoxy)-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile
CID 143184488
1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59425953
[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]carbamate
CID 59425811
1-cyclobutyl-6-(2-methoxyethoxy)-2-phenylindole-3-carbonitrile
CID 91127779
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
2-(4-aminophenyl)-1-cyclopentyl-6-ethoxyindole-3-carbonitrile;ethane;propyl formate
CID 143510951
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-ethoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425311
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile
CID 59426138

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile (CID 143511054) is 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile is N#Cc1c(-c2ccc(N3CCCS3=O)cc2)n(C2CC2)c2cc(OCC(F)(F)F)ccc12.
What is the InChIKey of 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?
The InChIKey is HNFSDVIRHWMCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2S/c24-23(25,26)14-31-18-8-9-19-20(13-27)22(29(17-6-7-17)21(19)12-18)15-2-4-16(5-3-15)28-10-1-11-32(28)30/h2-5,8-9,12,17H,1,6-7,10-11,14H2.
What are the key properties of 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?
1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile has a molecular weight of 459.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(1-oxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile is sourced from PubChem (CID 143511054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).