1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione

C22H19N5O2S — CID 71483003

IUPAC—
SMILESCc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23Sc2ncnn2C3=O)cc1
InChIInChI=1S/C22H19N5O2S/c1-13-7-9-14(10-8-13)16-11-26(2)21(15-5-3-4-6-17(15)25-18(21)28)22(16)19(29)27-20(30-22)23-12-24-27/h3-10,12,16H,11H2,1-2H3,(H,25,28)/t16-,21+,22-/m0/s1
InChIKeyZNLBYBPIEPZSJN-USCONSEESA-N
MW417.49 g/mol
LogP2.65
Rot. Bonds1

About 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione

1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione (PubChem CID 71483003) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol.

Molecular Properties

Compound Name1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione
PubChem CID71483003
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name—
SMILESCc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23Sc2ncnn2C3=O)cc1
InChIInChI=1S/C22H19N5O2S/c1-13-7-9-14(10-8-13)16-11-26(2)21(15-5-3-4-6-17(15)25-18(21)28)22(16)19(29)27-20(30-22)23-12-24-27/h3-10,12,16H,11H2,1-2H3,(H,25,28)/t16-,21+,22-/m0/s1
InChIKeyZNLBYBPIEPZSJN-USCONSEESA-N
XLogP2.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione with MolForge

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

Launch Full Analysis

Related Compounds

4'-(4-Chlorophenyl)-1'-methyl-4'',5'',6'',7''-tetrahydro-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-(thiazolo[3,2-a]pyrimidine)-2(3H),3''(2''H)-dione
CID 139066111
CID 10949890
CID 10949890
CID 54754401
CID 54754401
CID 98363375
CID 98363375
CID 139066319
CID 139066319
4'-(4-Methoxyphenyl)-1'-methyl-5-diphenyl-5,6,7,8,9,10-hexahydro-1,3-cyclooctapyrimidino[2,3-b]thiazole-2-spiro-3'-pyrrolidine-2'-spiro-3''-1H-indole-2'',3(2H,3''H)-dione
CID 139071091
(3S,3'R,4'S)-1'-methyl-4'-(4-methylphenyl)-3'-nitrospiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 11493779
CID 54753855
CID 54753855
CID 11714742
CID 11714742
CID 11729274
CID 11729274
CID 5034900
CID 5034900
ethyl (3R,3'R,4'R)-4'-(4-chlorophenyl)-3'-cyano-1'-methyl-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
CID 102494092

Frequently Asked Questions

What is the IUPAC name of 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione?
The IUPAC name of 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione (CID 71483003) is not available.
What is the SMILES notation for 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione?
The canonical SMILES for 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione is Cc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23Sc2ncnn2C3=O)cc1.
What is the InChIKey of 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione?
The InChIKey is ZNLBYBPIEPZSJN-USCONSEESA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-13-7-9-14(10-8-13)16-11-26(2)21(15-5-3-4-6-17(15)25-18(21)28)22(16)19(29)27-20(30-22)23-12-24-27/h3-10,12,16H,11H2,1-2H3,(H,25,28)/t16-,21+,22-/m0/s1.
What are the key properties of 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione?
1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione has a molecular weight of 417.49 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-Methyl-4'-tolyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-5''-(thiazolo[3,2-b][1,2,4]triazole)-2,6''(3H,5''H)-dione is sourced from PubChem (CID 71483003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).