3-[1-[2,3-bis(fluoranyl)-4-(3-morpholin-4-ylpropoxy)phenyl]-1,2,3,4-tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine

Systemtic Name: 3-[1-[2,3-bis(fluoranyl)-4-(3-morpholin-4-ylpropoxy)phenyl]-1,2,3,4-tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine Openeye Name: 3-[1-[2,3-difluoro-4-(3-morpholinopropoxy)phenyl]tetrazol-5-yl]-5-(1-isopentylpyrazol-4-yl)pyridin-2-amine CAS Name: 3-[1-[2,3-difluoro-4-[3-(4-morpholinyl)propoxy]phenyl]-5-tetrazolyl]-5-[1-(3-methylbutyl)-4-pyrazolyl]-2-pyridinamine IUPAC Name: 3-[1-[2,3-difluoro-4-(3-morpholin-4-ylpropoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine Traditional Name: [3-[1-[2,3-difluoro-4-(3-morpholinopropoxy)phenyl]tetrazol-5-yl]-5-(1-isoamylpyrazol-4-yl)-2-pyridyl]amine Formula: C27H33F2N9O2 MolecularWeight: 553.606826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=N1)C2=CC(=C(N=C2)N)C3=NN=NN3C4=C(C(=C(C=C4)OCCCN5CCOCC5)F)F

Isomeric SMILES

CC(C)CCN1C=C(C=N1)C2=CC(=C(N=C2)N)C3=NN=NN3C4=C(C(=C(C=C4)OCCCN5CCOCC5)F)F

InChI

InChI=1S/C27H33F2N9O2/c1-18(2)6-8-37-17-20(16-32-37)19-14-21(26(30)31-15-19)27-33-34-35-38(27)22-4-5-23(25(29)24(22)28)40-11-3-7-36-9-12-39-13-10-36/h4-5,14-18H,3,6-13H2,1-2H3,(H2,30,31)