CC1CCC(CC1)CN2C3=C(C=C(N=C3C4=CC(=CN=C4)Cl)C#N)N=C2Br
Название: 2-bromo-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine-6-carbonitrile
SMILES: CC1CCC(CC1)CN2C3=C(C=C(N=C3C4=CC(=CN=C4)Cl)C#N)N=C2Br

Molecular Processing

Molecular formula
C20H19BrClN5
Molecular weight
444.76
Exact mass
443.0512
XLogP
5.61
TPSA
67.39
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
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
0.4
Molar refractivity
109.31

Supplementary Information

InChIKey: MVNZIJWMABRQLL-UHFFFAOYSA-N
Синонимы
2-bromo-4-(5-chloropyridin-3-yl)-3-((trans-4-methylcyclohexyl)methyl)-3H-imidazo[4,5-c]pyridine-6-carbonitrile2-bromo-4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridine-6-carbonitrileSCHEMBL15817935SCHEMBL15817936MVNZIJWMABRQLL-JOCQHMNTSA-N
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