Fc1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1N[C@H]1CCCNC1
الاسم: 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILES: Fc1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1N[C@H]1CCCNC1

Molecular Processing

Molecular formula
C16H16ClFN6
Molecular weight
346.8
Exact mass
346.1109
XLogP
2.98
TPSA
78.52
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
91.6

Supplementary Information

InChIKey: NBZFAACAMGUXMO-JTQLQIEISA-N
مرادفات
SCHEMBL10008195NBZFAACAMGUXMO-JTQLQIEISA-N(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(piperidin-3-yl)pyrimidin-4-amine
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