Nombre: 2-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-4-yl]acetonitrile
SMILES:
C1CNCCC1(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3Molecular Processing
Molecular formula
C16H17N7
Molecular weight
307.36
Exact mass
307.1545
XLogP
1.81
TPSA
95.21
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
85.42
Supplementary Information
InChIKey: NVEOPWFKDOYPAN-UHFFFAOYSA-N
Sinónimos
SCHEMBL102406NVEOPWFKDOYPAN-UHFFFAOYSA-N4-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]piperidin-4-ylacetonitrile
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