1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide

C24H19F4N5O2S — CID 164620068

IUPAC1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
SMILESCNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCC1
InChIInChI=1S/C24H19F4N5O2S/c1-30-20(34)16-5-12-8-23(9-13(12)6-18(16)25)21(35)32(22(36)33(23)14-3-2-4-14)15-7-17(24(26,27)28)19(10-29)31-11-15/h5-7,11,14H,2-4,8-9H2,1H3,(H,30,34)
InChIKeyYBQSIUJDCMFXJD-UHFFFAOYSA-N
MW517.51 g/mol
LogP3.49
Rot. Bonds3

About 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide

1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide (PubChem CID 164620068) has the molecular formula C24H19F4N5O2S and a molecular weight of 517.51 g/mol. Its IUPAC name is 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide.

Molecular Properties

Compound Name1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
PubChem CID164620068
Molecular FormulaC24H19F4N5O2S
Molecular Weight517.51 g/mol
Exact Mass517.12
IUPAC Name1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
SMILESCNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCC1
InChIInChI=1S/C24H19F4N5O2S/c1-30-20(34)16-5-12-8-23(9-13(12)6-18(16)25)21(35)32(22(36)33(23)14-3-2-4-14)15-7-17(24(26,27)28)19(10-29)31-11-15/h5-7,11,14H,2-4,8-9H2,1H3,(H,30,34)
InChIKeyYBQSIUJDCMFXJD-UHFFFAOYSA-N
XLogP3.49
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide 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 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide?
The IUPAC name of 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide (CID 164620068) is 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide.
What is the SMILES notation for 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide?
The canonical SMILES for 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide is CNC(=O)c1cc2c(cc1F)CC1(C2)C(=O)N(c2cnc(C#N)c(C(F)(F)F)c2)C(=S)N1C1CCC1.
What is the InChIKey of 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide?
The InChIKey is YBQSIUJDCMFXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2S/c1-30-20(34)16-5-12-8-23(9-13(12)6-18(16)25)21(35)32(22(36)33(23)14-3-2-4-14)15-7-17(24(26,27)28)19(10-29)31-11-15/h5-7,11,14H,2-4,8-9H2,1H3,(H,30,34).
What are the key properties of 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide?
1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide has a molecular weight of 517.51 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3'-cyclobutyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide is sourced from PubChem (CID 164620068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).