CC1=CC2=C(C(=C1NC(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)OC)C(=O)NC(C)C)NN=C2
名称: 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
SMILES: CC1=CC2=C(C(=C1NC(=O)C3=CC(=NN3C4=C(C=CC=N4)Cl)OC)C(=O)NC(C)C)NN=C2

Molecular Processing

Molecular formula
C22H22ClN7O3
Molecular weight
467.92
Exact mass
467.1473
XLogP
3.5
TPSA
126.82
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
124.31

Supplementary Information

InChIKey: ORJSQZJVXRFKLP-UHFFFAOYSA-N
同義語
SCHEMBL2582532SCHEMBL4077016ORJSQZJVXRFKLP-UHFFFAOYSA-N6-{[2-(3-chloro-pyridin-2-yl)-5-methoxy-2H-pyrazole-3-carbonyl]-amino}-5-methyl-1H-indazole-7-carboxylic acid isopropylamide6-{[2-(3-chloro-pyridin-2-yl)-5-methoxy-2H-pyrazole-3-carbonyl]-amino}-5-methyl-2H-indazole-7-carboxylic acid isopropyl amide6-{[2-(3-chloro-pyridin-2-yl)-5-methoxy-2H-pyrazole-3-carbonyl]-amino}-5-methyl-2H-indazole-7-carboxylic acid isopropylamide
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