CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC(=N2)N3C4=CC(=NC=C4C=N3)C5=CNN=C5
Nombre: tert-butyl 4-[6-[6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepane-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC(=N2)N3C4=CC(=NC=C4C=N3)C5=CNN=C5

Molecular Processing

Molecular formula
C24H28N8O2
Molecular weight
460.54
Exact mass
460.2335
XLogP
3.65
TPSA
105.06
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
128.88

Supplementary Information

InChIKey: NVQUKIABTVWABO-UHFFFAOYSA-N
Sinónimos
SCHEMBL15400922NVQUKIABTVWABO-UHFFFAOYSA-Ntert-butyl 4-(6-(6-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)-1,4-diazepane-1-carboxylate
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