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5-[(8-chloroisoquinolin-3-yl)amino]-3-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}pyrazine-2-carbonitrile

5-[(8-chloroisoquinolin-3-yl)amino]-3-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}pyrazine-2-carbonitrile

CAS: 1184843-57-9

Formula: C19H19ClN6O

SMILES: C[C@H](CN(C)C)OC1=NC(NC2=CC3=CC=CC(Cl)=C3C=N2)=CN=C1C#N

IUPAC: 5-[(8-chloroisoquinolin-3-yl)amino]-3-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}pyrazine-2-carbonitrile

InChI: InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1

Composition: C (59.61%), H (5.00%), Cl (9.26%), N (21.95%), O (4.18%)

Molar Mass: 382.85

Atom Count: 46

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 382.130887
Formal Charge 0
FSP3 0.26
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey SRBJWIBAMIKCMV-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.52
Topological Polar Surface Area 86.96
Polarizability 41
Ring Count 3
Rotatable Bond Count 6

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