N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C23H32N6OS — CID 24797304

IUPACN,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1nsc(N2CC[C@@H](CN3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)C2)n1
InChIInChI=1S/C23H32N6OS/c1-17-24-21(31-25-17)28-11-8-18(15-28)14-27-12-9-23(10-13-27)16-29(22(30)26(2)3)20-7-5-4-6-19(20)23/h4-7,18H,8-16H2,1-3H3/t18-/m0/s1
InChIKeyYAACXKUYSDMCLP-SFHVURJKSA-N
MW440.62 g/mol
LogP3.21
Rot. Bonds3

About N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 24797304) has the molecular formula C23H32N6OS and a molecular weight of 440.62 g/mol. Its IUPAC name is N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID24797304
Molecular FormulaC23H32N6OS
Molecular Weight440.62 g/mol
Exact Mass440.24
IUPAC NameN,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCc1nsc(N2CC[C@@H](CN3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)C2)n1
InChIInChI=1S/C23H32N6OS/c1-17-24-21(31-25-17)28-11-8-18(15-28)14-27-12-9-23(10-13-27)16-29(22(30)26(2)3)20-7-5-4-6-19(20)23/h4-7,18H,8-16H2,1-3H3/t18-/m0/s1
InChIKeyYAACXKUYSDMCLP-SFHVURJKSA-N
XLogP3.21
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 24797304) is N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is Cc1nsc(N2CC[C@@H](CN3CCC4(CC3)CN(C(=O)N(C)C)c3ccccc34)C2)n1.
What is the InChIKey of N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is YAACXKUYSDMCLP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N6OS/c1-17-24-21(31-25-17)28-11-8-18(15-28)14-27-12-9-23(10-13-27)16-29(22(30)26(2)3)20-7-5-4-6-19(20)23/h4-7,18H,8-16H2,1-3H3/t18-/m0/s1.
What are the key properties of N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 440.62 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-[[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 24797304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).