CC(C)(C(=O)O)N1C=C(C=N1)C2=C3C=CNC3=NC=C2
名称: 2-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]propanoic acid
SMILES: CC(C)(C(=O)O)N1C=C(C=N1)C2=C3C=CNC3=NC=C2

Molecular Processing

Molecular formula
C14H14N4O2
Molecular weight
270.29
Exact mass
270.1117
XLogP
2.25
TPSA
83.8
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
74.27

Supplementary Information

InChIKey: HBHJBFMTFMZIKX-UHFFFAOYSA-N
同義語
SCHEMBL100576HBHJBFMTFMZIKX-UHFFFAOYSA-N2-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]propanoic acid
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