Mutated egfr-in-1

C₂₅H₃₁N₇OCAS 1421372-66-8445.57 g/mol

Open in Covalent MOL file

Ether Primary amine Secondary amine Tertiary amine

Properties

Molecular formula: C₂₅H₃₁N₇O
Molar mass: 445.57 g/mol
Exact mass: 445.2590 Da
logP: 3.97Crippen estimate
Polar surface area: 84.5 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 8

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

1421372-66-8

SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)N)N(C)CCN(C)C)OC

InChIKey

HTNTZPBKKCORTP-UHFFFAOYSA-N

InChI

InChI=1S/C25H31N7O/c1-30(2)12-13-31(3)23-15-24(33-5)21(14-19(23)26)29-25-27-11-10-20(28-25)18-16-32(4)22-9-7-6-8-17(18)22/h6-11,14-16H,12-13,26H2,1-5H3,(H,27,28,29)

Weigh it out

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Work with Mutated egfr-in-1

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

N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine1421372-67-977 % similar Osimertinib1421373-65-072 % similar Osimertinib mesylate1421373-66-165 % similar N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine1421372-94-257 % similar Az-51041421373-98-952 % similar Tak-7881847461-43-151 % similar 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole1032452-86-040 % similar

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

Elsewhere

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