GSK 690693

C₂₁H₂₇N₇O₃CAS 937174-76-0425.49 g/mol

Open in Covalent MOL file

Alcohol Alkyne Ether Primary amine Secondary amine

Properties

Molecular formula: C₂₁H₂₇N₇O₃
Molar mass: 425.49 g/mol
Exact mass: 425.2175 Da
logP: 1.58Crippen estimate
Polar surface area: 137.1 Å²
H-bond donors / acceptors: 3 / 9
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

937174-76-0

SMILES

CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21

InChIKey

KGPGFQWBCSZGEL-ZDUSSCGKSA-N

InChI

InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1

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

Names and synonyms

2 names

3-Butyn-2-ol, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-
4-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-3-piperidinylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl]-2-methyl-3-butyn-2-ol

Work with GSK 690693

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook