CAS: 942919-13-3
名称: 4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]aniline
SMILES:
CCN1C=C(C(=N1)C2=CC=C(C=C2)N)C3=C4C=CNC4=NC=C3Molecular Processing
Molecular formula
C18H17N5
Molecular weight
303.37
Exact mass
303.1484
XLogP
3.7
TPSA
72.52
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
92.84
Supplementary Information
InChIKey: DTLLEIBHAHQUDG-UHFFFAOYSA-N
同義語
SCHEMBL4315153DTLLEIBHAHQUDG-UHFFFAOYSA-NDB-1668224-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]aniline4-[1-Ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]benzenamine942919-13-3
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