Cpi-444

C₂₀H₂₁N₇O₃CAS 1202402-40-1407.43 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₂₀H₂₁N₇O₃
Molar mass: 407.43 g/mol
Exact mass: 407.1706 Da
logP: 2.12Crippen estimate
Polar surface area: 127.0 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 6
Stereocentres: 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

1202402-40-1

SMILES

CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)CO[C@H]5CCOC5

InChIKey

KURQKNMKCGYWRJ-HNNXBMFYSA-N

InChI

InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Ciforadenant

Work with Cpi-444

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