N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

C154H203F12N35O7 — CID 163618033

IUPACN-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(C5CCNCC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(N5CCC(N(C)C)CC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(N5CCNCC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(c5ccn(C)n5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCN(C5CCC(O)CC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCN(c5ccn(C)n5)CC4)ncc3F)cc21
InChIInChI=1S/C28H40F2N6O.C26H35F2N5O2.C26H35F2N5O.C25H30F2N6O.C25H34F2N6O.C24H29F2N7O/c1-18(2)36-13-14-37-27-23(29)15-19(16-25(27)36)26-24(30)17-31-28(33-26)32-20-5-7-22(8-6-20)35-11-9-21(10-12-35)34(3)4;1-16(2)33-11-12-35-25-21(27)13-17(14-23(25)33)24-22(28)15-29-26(31-24)30-18-7-9-32(10-8-18)19-3-5-20(34)6-4-19;1-16(2)33-11-12-34-25-21(27)13-19(14-23(25)33)24-22(28)15-30-26(32-24)31-20-5-3-17(4-6-20)18-7-9-29-10-8-18;1-15(2)33-10-11-34-24-19(26)12-17(13-22(24)33)23-20(27)14-28-25(30-23)29-18-6-4-16(5-7-18)21-8-9-32(3)31-21;1-16(2)33-11-12-34-24-20(26)13-17(14-22(24)33)23-21(27)15-29-25(31-23)30-18-3-5-19(6-4-18)32-9-7-28-8-10-32;1-15(2)33-10-11-34-23-18(25)12-16(13-20(23)33)22-19(26)14-27-24(29-22)28-17-4-8-32(9-5-17)21-6-7-31(3)30-21/h15-18,20-22H,5-14H2,1-4H3,(H,31,32,33);13-16,18-20,34H,3-12H2,1-2H3,(H,29,30,31);13-18,20,29H,3-12H2,1-2H3,(H,30,31,32);8-9,12-16,18H,4-7,10-11H2,1-3H3,(H,28,29,30);13-16,18-19,28H,3-12H2,1-2H3,(H,29,30,31);6-7,12-15,17H,4-5,8-11H2,1-3H3,(H,27,28,29)
InChIKeyHLQSNYIWEZDSAH-UHFFFAOYSA-N
MW2884.53 g/mol
LogP26.39
Rot. Bonds31

About N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol

N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 163618033) has the molecular formula C154H203F12N35O7 and a molecular weight of 2884.53 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID163618033
Molecular FormulaC154H203F12N35O7
Molecular Weight2884.53 g/mol
Exact Mass2882.64
IUPAC NameN-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(C5CCNCC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(N5CCC(N(C)C)CC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(N5CCNCC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(c5ccn(C)n5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCN(C5CCC(O)CC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCN(c5ccn(C)n5)CC4)ncc3F)cc21
InChIInChI=1S/C28H40F2N6O.C26H35F2N5O2.C26H35F2N5O.C25H30F2N6O.C25H34F2N6O.C24H29F2N7O/c1-18(2)36-13-14-37-27-23(29)15-19(16-25(27)36)26-24(30)17-31-28(33-26)32-20-5-7-22(8-6-20)35-11-9-21(10-12-35)34(3)4;1-16(2)33-11-12-35-25-21(27)13-17(14-23(25)33)24-22(28)15-29-26(31-24)30-18-7-9-32(10-8-18)19-3-5-20(34)6-4-19;1-16(2)33-11-12-34-25-21(27)13-19(14-23(25)33)24-22(28)15-30-26(32-24)31-20-5-3-17(4-6-20)18-7-9-29-10-8-18;1-15(2)33-10-11-34-24-19(26)12-17(13-22(24)33)23-20(27)14-28-25(30-23)29-18-6-4-16(5-7-18)21-8-9-32(3)31-21;1-16(2)33-11-12-34-24-20(26)13-17(14-22(24)33)23-21(27)15-29-25(31-23)30-18-3-5-19(6-4-18)32-9-7-28-8-10-32;1-15(2)33-10-11-34-23-18(25)12-16(13-20(23)33)22-19(26)14-27-24(29-22)28-17-4-8-32(9-5-17)21-6-7-31(3)30-21/h15-18,20-22H,5-14H2,1-4H3,(H,31,32,33);13-16,18-20,34H,3-12H2,1-2H3,(H,29,30,31);13-18,20,29H,3-12H2,1-2H3,(H,30,31,32);8-9,12-16,18H,4-7,10-11H2,1-3H3,(H,28,29,30);13-16,18-19,28H,3-12H2,1-2H3,(H,29,30,31);6-7,12-15,17H,4-5,8-11H2,1-3H3,(H,27,28,29)
InChIKeyHLQSNYIWEZDSAH-UHFFFAOYSA-N
XLogP26.39
TPSA397.81 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds31
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002884.53
LogP ≤ 526.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Analyze N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclohexan-1-ol
CID 139390087
5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]pyrimidin-2-amine
CID 139390132
2-[[1-[2-[5-Methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyanilino]pyrimidin-4-yl]-3-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 172446548
4-[[1-[2-[2-Methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-3-phenylpyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 172457749
2-[[1-[2-[2-Ethoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-3-phenylpyrazol-4-yl]methylamino]propan-1-ol
CID 172470397
4-[[1-[4-[5-[(4-Aminocyclohexyl)amino]-1-[4-[5-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-yl]-2-(trifluoromethoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-5-yl]amino]cyclohexan-1-ol
CID 123392035
2-[3-[[[7-(3-Fluoro-4-methoxyphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidin-2-yl]-2-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol
CID 123891422
5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(6-piperidin-4-ylpyridazin-3-yl)pyrimidin-2-amine
CID 139390159
4-[3-[[5-Fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]cyclohexan-1-ol
CID 139409720
N-[1-[4-(dimethylamino)cyclohexyl]pyrazol-3-yl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine
CID 139409722
5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[5-(1-methylpyrazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 139409821
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-5,6-dihydro-4H-imidazo[5,1-e]pyrazol-2-amine
CID 139410032

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol (CID 163618033) is N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(C5CCNCC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(N5CCC(N(C)C)CC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(N5CCNCC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCC(c5ccn(C)n5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCN(C5CCC(O)CC5)CC4)ncc3F)cc21.CC(C)N1CCOc2c(F)cc(-c3nc(NC4CCN(c5ccn(C)n5)CC4)ncc3F)cc21.
What is the InChIKey of N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is HLQSNYIWEZDSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F2N6O.C26H35F2N5O2.C26H35F2N5O.C25H30F2N6O.C25H34F2N6O.C24H29F2N7O/c1-18(2)36-13-14-37-27-23(29)15-19(16-25(27)36)26-24(30)17-31-28(33-26)32-20-5-7-22(8-6-20)35-11-9-21(10-12-35)34(3)4;1-16(2)33-11-12-35-25-21(27)13-17(14-23(25)33)24-22(28)15-29-26(31-24)30-18-7-9-32(10-8-18)19-3-5-20(34)6-4-19;1-16(2)33-11-12-34-25-21(27)13-19(14-23(25)33)24-22(28)15-30-26(32-24)31-20-5-3-17(4-6-20)18-7-9-29-10-8-18;1-15(2)33-10-11-34-24-19(26)12-17(13-22(24)33)23-20(27)14-28-25(30-23)29-18-6-4-16(5-7-18)21-8-9-32(3)31-21;1-16(2)33-11-12-34-24-20(26)13-17(14-22(24)33)23-21(27)15-29-25(31-23)30-18-3-5-19(6-4-18)32-9-7-28-8-10-32;1-15(2)33-10-11-34-23-18(25)12-16(13-20(23)33)22-19(26)14-27-24(29-22)28-17-4-8-32(9-5-17)21-6-7-31(3)30-21/h15-18,20-22H,5-14H2,1-4H3,(H,31,32,33);13-16,18-20,34H,3-12H2,1-2H3,(H,29,30,31);13-18,20,29H,3-12H2,1-2H3,(H,30,31,32);8-9,12-16,18H,4-7,10-11H2,1-3H3,(H,28,29,30);13-16,18-19,28H,3-12H2,1-2H3,(H,29,30,31);6-7,12-15,17H,4-5,8-11H2,1-3H3,(H,27,28,29).
What are the key properties of N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol?
N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 2884.53 g/mol, XLogP of 26.39, 31 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[4-(1-methylpyrazol-3-yl)cyclohexyl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[1-(1-methylpyrazol-3-yl)piperidin-4-yl]pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperazin-1-ylcyclohexyl)pyrimidin-2-amine;5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-(4-piperidin-4-ylcyclohexyl)pyrimidin-2-amine;4-[4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 163618033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).