N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide

C23H23F3N4O3S — CID 66730852

IUPACN-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2CC2CC2)cn1
InChIInChI=1S/C23H23F3N4O3S/c1-14(2)34(31,32)29-21-8-5-16(11-28-21)22-19(10-27)18-7-6-17(33-13-23(24,25)26)9-20(18)30(22)12-15-3-4-15/h5-9,11,14-15H,3-4,12-13H2,1-2H3,(H,28,29)
InChIKeyLBDMZGKRISWOPU-UHFFFAOYSA-N
MW492.52 g/mol
LogP5.08
Rot. Bonds8

About N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide

N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide (PubChem CID 66730852) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide
PubChem CID66730852
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC NameN-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2CC2CC2)cn1
InChIInChI=1S/C23H23F3N4O3S/c1-14(2)34(31,32)29-21-8-5-16(11-28-21)22-19(10-27)18-7-6-17(33-13-23(24,25)26)9-20(18)30(22)12-15-3-4-15/h5-9,11,14-15H,3-4,12-13H2,1-2H3,(H,28,29)
InChIKeyLBDMZGKRISWOPU-UHFFFAOYSA-N
XLogP5.08
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide (CID 66730852) is N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2CC2CC2)cn1.
What is the InChIKey of N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide?
The InChIKey is LBDMZGKRISWOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-14(2)34(31,32)29-21-8-5-16(11-28-21)22-19(10-27)18-7-6-17(33-13-23(24,25)26)9-20(18)30(22)12-15-3-4-15/h5-9,11,14-15H,3-4,12-13H2,1-2H3,(H,28,29).
What are the key properties of N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide?
N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide has a molecular weight of 492.52 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]-2-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 66730852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).