4-[1-tert-butyl-3-(3-chloranyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-amine

Systemtic Name: 4-[1-tert-butyl-3-(3-chloranyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-amine Openeye Name: 4-[1-tert-butyl-3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-amine CAS Name: 4-[1-tert-butyl-3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-pyrazolyl]-2-pyrimidinamine IUPAC Name: 4-[1-tert-butyl-3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-amine Traditional Name: [4-[1-tert-butyl-3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C18H18ClN7 MolecularWeight: 367.83542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CN=C3C(=C2)C(=CN3)Cl)C4=NC(=NC=C4)N

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CN=C3C(=C2)C(=CN3)Cl)C4=NC(=NC=C4)N

InChI

InChI=1S/C18H18ClN7/c1-18(2,3)26-9-12(14-4-5-21-17(20)24-14)15(25-26)10-6-11-13(19)8-23-16(11)22-7-10/h4-9H,1-3H3,(H,22,23)(H2,20,21,24)