N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine

C140H130F12N32O6 — CID 163853348

IUPACN-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5[nH]ncc5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5c(c4)CNCCC5)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cc[nH]c5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5ccncc5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cn[nH]c5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cnccc5c4)ncc3F)cc21
InChIInChI=1S/C25H27F2N5O.2C24H21F2N5O.C23H21F2N5O.2C22H20F2N6O/c1-15(2)32-8-9-33-24-20(26)11-17(12-22(24)32)23-21(27)14-29-25(31-23)30-19-6-5-16-4-3-7-28-13-18(16)10-19;1-14(2)31-7-8-32-23-19(25)10-17(11-21(23)31)22-20(26)13-28-24(30-22)29-18-4-3-16-12-27-6-5-15(16)9-18;1-14(2)31-7-8-32-23-19(25)10-16(11-21(23)31)22-20(26)13-28-24(30-22)29-18-4-3-15-5-6-27-12-17(15)9-18;1-13(2)30-7-8-31-22-17(24)9-15(10-20(22)30)21-18(25)12-27-23(29-21)28-16-4-3-14-5-6-26-19(14)11-16;1-12(2)30-5-6-31-21-16(23)8-13(9-19(21)30)20-17(24)11-25-22(28-20)27-15-3-4-18-14(7-15)10-26-29-18;1-12(2)30-5-6-31-21-16(23)7-14(8-19(21)30)20-17(24)11-25-22(28-20)27-15-4-3-13-10-26-29-18(13)9-15/h5-6,10-12,14-15,28H,3-4,7-9,13H2,1-2H3,(H,29,30,31);2*3-6,9-14H,7-8H2,1-2H3,(H,28,29,30);3-6,9-13,26H,7-8H2,1-2H3,(H,27,28,29);2*3-4,7-12H,5-6H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyOWFNQYRICGLIJA-UHFFFAOYSA-N
MW2584.77 g/mol
LogP30.00
Rot. Bonds24

About N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine

N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine (PubChem CID 163853348) has the molecular formula C140H130F12N32O6 and a molecular weight of 2584.77 g/mol. Its IUPAC name is N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine.

Molecular Properties

Compound NameN-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine
PubChem CID163853348
Molecular FormulaC140H130F12N32O6
Molecular Weight2584.77 g/mol
Exact Mass2583.07
IUPAC NameN-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5[nH]ncc5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5c(c4)CNCCC5)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cc[nH]c5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5ccncc5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cn[nH]c5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cnccc5c4)ncc3F)cc21
InChIInChI=1S/C25H27F2N5O.2C24H21F2N5O.C23H21F2N5O.2C22H20F2N6O/c1-15(2)32-8-9-33-24-20(26)11-17(12-22(24)32)23-21(27)14-29-25(31-23)30-19-6-5-16-4-3-7-28-13-18(16)10-19;1-14(2)31-7-8-32-23-19(25)10-17(11-21(23)31)22-20(26)13-28-24(30-22)29-18-4-3-16-12-27-6-5-15(16)9-18;1-14(2)31-7-8-32-23-19(25)10-16(11-21(23)31)22-20(26)13-28-24(30-22)29-18-4-3-15-5-6-27-12-17(15)9-18;1-13(2)30-7-8-31-22-17(24)9-15(10-20(22)30)21-18(25)12-27-23(29-21)28-16-4-3-14-5-6-26-19(14)11-16;1-12(2)30-5-6-31-21-16(23)8-13(9-19(21)30)20-17(24)11-25-22(28-20)27-15-3-4-18-14(7-15)10-26-29-18;1-12(2)30-5-6-31-21-16(23)7-14(8-19(21)30)20-17(24)11-25-22(28-20)27-15-4-3-13-10-26-29-18(13)9-15/h5-6,10-12,14-15,28H,3-4,7-9,13H2,1-2H3,(H,29,30,31);2*3-6,9-14H,7-8H2,1-2H3,(H,28,29,30);3-6,9-13,26H,7-8H2,1-2H3,(H,27,28,29);2*3-4,7-12H,5-6H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyOWFNQYRICGLIJA-UHFFFAOYSA-N
XLogP30.00
TPSA412.64 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds24
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.77
LogP ≤ 530.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine
CID 139409638
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine
CID 139410053
6-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]-1H-indazole-4-carbonitrile
CID 139410067
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-4-methyl-1H-indol-6-amine
CID 139410311
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-3-piperidin-4-yl-2H-indazol-5-amine
CID 156070708
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
CID 156092653
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-3-piperazin-1-yl-1H-indazol-5-amine
CID 156093180
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-3-(4-methylpiperazin-1-yl)-1H-indazol-5-amine
CID 156093183
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine
CID 156093184
N-(3-cyclohexyl-1-propan-2-ylpyrazol-5-yl)-8-(4-fluoro-2-methoxyphenyl)quinazolin-2-amine;8-(4-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-(5-fluoro-2-methoxyphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine
CID 159319998
4-[(3-amino-1H-indazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)anilino]-6-[4-(1,1-difluoroethoxy)phenyl]pyrimidin-5-ol;4-(isoquinolin-7-ylamino)-6-(4-methylphenyl)pyrimidin-5-ol
CID 159909867
4-[4-(cyclohexylamino)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzonitrile;N-cyclohexyl-3-(2,3-difluorophenyl)-1H-pyrrolo[3,4-c]pyridin-4-amine;N-cyclohexyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 160483666

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine?
The IUPAC name of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine (CID 163853348) is N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine.
What is the SMILES notation for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine?
The canonical SMILES for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine is CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5[nH]ncc5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5c(c4)CNCCC5)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cc[nH]c5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5ccncc5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cn[nH]c5c4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5cnccc5c4)ncc3F)cc21.
What is the InChIKey of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine?
The InChIKey is OWFNQYRICGLIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O.2C24H21F2N5O.C23H21F2N5O.2C22H20F2N6O/c1-15(2)32-8-9-33-24-20(26)11-17(12-22(24)32)23-21(27)14-29-25(31-23)30-19-6-5-16-4-3-7-28-13-18(16)10-19;1-14(2)31-7-8-32-23-19(25)10-17(11-21(23)31)22-20(26)13-28-24(30-22)29-18-4-3-16-12-27-6-5-15(16)9-18;1-14(2)31-7-8-32-23-19(25)10-16(11-21(23)31)22-20(26)13-28-24(30-22)29-18-4-3-15-5-6-27-12-17(15)9-18;1-13(2)30-7-8-31-22-17(24)9-15(10-20(22)30)21-18(25)12-27-23(29-21)28-16-4-3-14-5-6-26-19(14)11-16;1-12(2)30-5-6-31-21-16(23)8-13(9-19(21)30)20-17(24)11-25-22(28-20)27-15-3-4-18-14(7-15)10-26-29-18;1-12(2)30-5-6-31-21-16(23)7-14(8-19(21)30)20-17(24)11-25-22(28-20)27-15-4-3-13-10-26-29-18(13)9-15/h5-6,10-12,14-15,28H,3-4,7-9,13H2,1-2H3,(H,29,30,31);2*3-6,9-14H,7-8H2,1-2H3,(H,28,29,30);3-6,9-13,26H,7-8H2,1-2H3,(H,27,28,29);2*3-4,7-12H,5-6H2,1-2H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine?
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine has a molecular weight of 2584.77 g/mol, XLogP of 30.00, 24 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-5-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indazol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1H-indol-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-6-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]isoquinolin-7-amine;N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-8-amine is sourced from PubChem (CID 163853348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).