chempirical

Teneligliptin

C22H30N6OSCAS 906093-29-6426.58 g/mol

Open in Covalent MOL file
NNNNNHONS
AmideSecondary amineSulfideTertiary amine

Properties

Molecular formula
C22H30N6OS
Molar mass
426.58 g/mol
Exact mass
426.2202 Da
logP
1.57Crippen estimate
Polar surface area
56.6 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
906093-29-6
SMILES
CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5
InChIKey
WGRQANOPCQRCME-PMACEKPBSA-N
InChI
InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1

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Work with Teneligliptin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)piperazine401566-79-846 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-431 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook