1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C24H34N6OS — CID 24797303

IUPAC1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCc1nsc(N2CC[C@H](CN3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)C2)n1
InChIInChI=1S/C24H34N6OS/c1-4-21-25-22(32-26-21)29-12-9-18(16-29)15-28-13-10-24(11-14-28)17-30(23(31)27(2)3)20-8-6-5-7-19(20)24/h5-8,18H,4,9-17H2,1-3H3/t18-/m1/s1
InChIKeyFFYSGYFRATXAOE-GOSISDBHSA-N
MW454.64 g/mol
LogP3.46
Rot. Bonds4

About 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 24797303) has the molecular formula C24H34N6OS and a molecular weight of 454.64 g/mol. Its IUPAC name is 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID24797303
Molecular FormulaC24H34N6OS
Molecular Weight454.64 g/mol
Exact Mass454.25
IUPAC Name1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCCc1nsc(N2CC[C@H](CN3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)C2)n1
InChIInChI=1S/C24H34N6OS/c1-4-21-25-22(32-26-21)29-12-9-18(16-29)15-28-13-10-24(11-14-28)17-30(23(31)27(2)3)20-8-6-5-7-19(20)24/h5-8,18H,4,9-17H2,1-3H3/t18-/m1/s1
InChIKeyFFYSGYFRATXAOE-GOSISDBHSA-N
XLogP3.46
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-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'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 24797303) is 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CCc1nsc(N2CC[C@H](CN3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)C2)n1.
What is the InChIKey of 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is FFYSGYFRATXAOE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N6OS/c1-4-21-25-22(32-26-21)29-12-9-18(16-29)15-28-13-10-24(11-14-28)17-30(23(31)27(2)3)20-8-6-5-7-19(20)24/h5-8,18H,4,9-17H2,1-3H3/t18-/m1/s1.
What are the key properties of 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?
1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 454.64 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[(3R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 24797303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).