Vilazodone

C₂₆H₂₇N₅O₂CAS 163521-12-8441.54 g/mol

Open in Covalent MOL file

Nitrile Tertiary amine

Properties

Molecular formula: C₂₆H₂₇N₅O₂
Molar mass: 441.54 g/mol
Exact mass: 441.2165 Da
Melting point: 277–279 °C
logP: 4.81Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7

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

163521-12-8

SMILES

N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(=N)O)cc5c4)CC3)c2c1

InChIKey

SGEGOXDYSFKCPT-UHFFFAOYSA-N

InChI

InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)

Weigh it out

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

Names and synonyms

4 names

2-Benzofurancarboxamide, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-
5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxamide
EMD 515259
1-[4-(5-Cyanoindol-3-yl)butyl]-4-(2-carbamoylbenzofuran-5-yl)piperazine

Work with Vilazodone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Vilazodone hydrochloride163521-08-2Salt

Similar compounds

3-(4-Chlorbutyl)-1H-indol-5-carbonitril143612-79-746 % similar 5-(1-Piperazinyl)benzofuran-2-carboxamide183288-46-232 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook