chempirical

Anagliptin

C19H25N7O2CAS 739366-20-2383.46 g/mol

Open in Covalent MOL file
NOHNHNONNNN
AmideNitrileSecondary amine

Properties

Molecular formula
C19H25N7O2
Molar mass
383.46 g/mol
Exact mass
383.2070 Da
logP
1.23Crippen estimate
Polar surface area
118.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
739366-20-2
SMILES
Cc1cc2ncc(C(O)=NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1
InChIKey
LDXYBEHACFJIEL-HNNXBMFYSA-N
InChI
InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Pyrazolo[1,5-a]pyrimidine-6-carboxamide, N-[2-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-2-methylpropyl]-2-methyl-
  • N-[2-[[2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
  • Suiny
  • N-[2-([2-[(2S)-2-Cyanopyrrolidin-1-yl]-2-oxoethyl]amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

Work with Anagliptin

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

2-Methylpyrazolo[1,5-A]pyrimidine-6-carboxylic acid739364-95-538 % similar Vildagliptin274901-16-537 % similar (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile207557-35-532 % similar 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-030 % similar

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

Elsewhere

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