CC1=CN=CC(=N1)C2=NC=C3C=NN(C3=C2)C4=CN=C(C(=N4)N5CCCC(C5)NC(=O)OC(C)(C)C)Cl
Nom: tert-butyl N-[(3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]piperidin-3-yl]carbamate
SMILES: CC1=CN=CC(=N1)C2=NC=C3C=NN(C3=C2)C4=CN=C(C(=N4)N5CCCC(C5)NC(=O)OC(C)(C)C)Cl

Molecular Processing

Molecular formula
C25H28ClN9O2
Molecular weight
522.01
Exact mass
521.2054
XLogP
4.12
TPSA
123.84
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
139.83

Supplementary Information

InChIKey: TXZGYGRADNXXQM-KRWDZBQOSA-N
Synonymes
SCHEMBL15402022TXZGYGRADNXXQM-KRWDZBQOSA-Ntert-butyl N-[(3S)-1-[3-chloro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-yl]-3-piperidyl]carbamate
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→