COC(=O)C1=CN=C2C(=C1N3CCNCC3)C=CN2
Name: methyl 4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILES: COC(=O)C1=CN=C2C(=C1N3CCNCC3)C=CN2

Molecular Processing

Molecular formula
C13H16N4O2
Molecular weight
260.3
Exact mass
260.1273
XLogP
0.76
TPSA
70.25
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
72.52

Supplementary Information

InChIKey: SBSIPJNQFJSVBJ-UHFFFAOYSA-N
Synonyme
SCHEMBL3724642SBSIPJNQFJSVBJ-UHFFFAOYSA-Nmethyl 4-(piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
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