chempirical

(R)-5-(2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-A]pyrimidin-3-amine

C16H15F2N5CAS 1223404-88-3315.33 g/mol

Open in Covalent MOL file
NNNNH2NFF
Aryl halidePrimary amineTertiary amine

Properties

Molecular formula
C16H15F2N5
Molar mass
315.33 g/mol
Exact mass
315.1296 Da
logP
2.93Crippen estimate
Polar surface area
59.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
1223404-88-3
SMILES
C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)N)C4=C(C=CC(=C4)F)F
InChIKey
PNTNLXBVYHOZQI-CQSZACIVSA-N
InChI
InChI=1S/C16H15F2N5/c17-10-3-4-12(18)11(8-10)14-2-1-6-22(14)15-5-7-23-16(21-15)13(19)9-20-23/h3-5,7-9,14H,1-2,6,19H2/t14-/m1/s1

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

Work with (R)-5-(2-(2,5-Difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-A]pyrimidin-3-amine

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

(3S)-N-[5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-A]pyrimidin-3-yl]-3-hydroxy-1-pyrrolidinecarboxamide1223403-58-461 % similar Larotrectinib sulfate1223405-08-055 % similar (2R)-2-(2,5-Difluorophenyl)pyrrolidine1218935-59-132 % similar 2,5-Difluoroaniline367-30-631 % similar (R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride1218935-60-431 % similar

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

Elsewhere

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