C1CC(N(C1)C2=NC3=C(C=NN3C=C2)N)C4=C(C=CC(=C4)F)F
CAS: 1223404-88-3
Name: 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
SMILES: C1CC(N(C1)C2=NC3=C(C=NN3C=C2)N)C4=C(C=CC(=C4)F)F

Molecular Processing

Molecular formula
C16H15F2N5
Molecular weight
315.33
Exact mass
315.1296
XLogP
2.93
TPSA
59.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
83.08

Supplementary Information

InChIKey: PNTNLXBVYHOZQI-CQSZACIVSA-N
Synonyme
1223404-88-3(R)-5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-amineMFCD308025055-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-amine(R)-5-[2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-amineC16H15F2N5Larotrectinib Impurity 6Larotrectinib Impurity 7Larotrectinib dfp-pppa impurity54Q4FL3GH3SCHEMBL2241164SCHEMBL29735068PNTNLXBVYHOZQI-CQSZACIVSA-NAC3259BS-45255SY251734DB-179458CS-0068879F610137Pyrazolo[1,5-a]pyrimidin-3-amine, 5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]-
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