N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide

C171H198F18N28O14S2 — CID 163788705

About N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide

N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide (PubChem CID 163788705) has the molecular formula C171H198F18N28O14S2 and a molecular weight of 3275.74 g/mol. Its IUPAC name is N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide.

Molecular Properties

• Compound Name: N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide
• PubChem CID: 163788705
• Molecular Formula: C171H198F18N28O14S2
• Molecular Weight: 3275.74 g/mol
• Exact Mass: 3273.48
• IUPAC Name: N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide
• SMILES: CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3cc(Nc4ccc(CN(C)S(C)(=O)=O)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3cc(Nc4ccc(N(C)C5CCOC5)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3cc(Nc4ccc(NC5CCOC5)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3nc(Nc4ccc(CC5CCN(C(N)=O)CC5)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3nc(Nc4ccc(CCC(N)=O)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3nc(Nc4ccc(CNS(C)(=O)=O)c(F)c4)ncc3F)cc21
• InChI: InChI=1S/C31H37F3N6O2.C30H35F3N4O2.C29H33F3N4O2.C28H33F3N4O3S.C27H30F3N5O2.C26H30F3N5O3S/c1-5-18(2)40-17-31(3,4)42-28-24(33)13-21(14-26(28)40)27-25(34)16-36-30(38-27)37-22-7-6-20(23(32)15-22)12-19-8-10-39(11-9-19)29(35)41;1-6-18(2)37-17-30(3,4)39-29-24(32)11-19(12-27(29)37)22-14-28(34-15-25(22)33)35-20-7-8-26(23(31)13-20)36(5)21-9-10-38-16-21;1-5-17(2)36-16-29(3,4)38-28-23(31)10-18(11-26(28)36)21-13-27(33-14-24(21)32)35-19-6-7-25(22(30)12-19)34-20-8-9-37-15-20;1-7-17(2)35-16-28(3,4)38-27-23(30)10-19(11-25(27)35)21-13-26(32-14-24(21)31)33-20-9-8-18(22(29)12-20)15-34(5)39(6,36)37;1-5-15(2)35-14-27(3,4)37-25-20(29)10-17(11-22(25)35)24-21(30)13-32-26(34-24)33-18-8-6-16(19(28)12-18)7-9-23(31)36;1-6-15(2)34-14-26(3,4)37-24-20(28)9-17(10-22(24)34)23-21(29)13-30-25(33-23)32-18-8-7-16(19(27)11-18)12-31-38(5,35)36/h6-7,13-16,18-19H,5,8-12,17H2,1-4H3,(H2,35,41)(H,36,37,38);7-8,11-15,18,21H,6,9-10,16-17H2,1-5H3,(H,34,35);6-7,10-14,17,20,34H,5,8-9,15-16H2,1-4H3,(H,33,35);8-14,17H,7,15-16H2,1-6H3,(H,32,33);6,8,10-13,15H,5,7,9,14H2,1-4H3,(H2,31,36)(H,32,33,34);7-11,13,15,31H,6,12,14H2,1-5H3,(H,30,32,33)
• InChIKey: MUUVURUHDAHGKR-UHFFFAOYSA-N
• XLogP: 36.92
• TPSA: 469.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3275.74
LogP ≤ 5	36.92
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide?

The IUPAC name of N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide (CID 163788705) is N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide.

What is the SMILES notation for N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide?

The canonical SMILES for N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide is CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3cc(Nc4ccc(CN(C)S(C)(=O)=O)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3cc(Nc4ccc(N(C)C5CCOC5)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3cc(Nc4ccc(NC5CCOC5)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3nc(Nc4ccc(CC5CCN(C(N)=O)CC5)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3nc(Nc4ccc(CCC(N)=O)c(F)c4)ncc3F)cc21.CCC(C)N1CC(C)(C)Oc2c(F)cc(-c3nc(Nc4ccc(CNS(C)(=O)=O)c(F)c4)ncc3F)cc21.

What is the InChIKey of N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide?

The InChIKey is MUUVURUHDAHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N6O2.C30H35F3N4O2.C29H33F3N4O2.C28H33F3N4O3S.C27H30F3N5O2.C26H30F3N5O3S/c1-5-18(2)40-17-31(3,4)42-28-24(33)13-21(14-26(28)40)27-25(34)16-36-30(38-27)37-22-7-6-20(23(32)15-22)12-19-8-10-39(11-9-19)29(35)41;1-6-18(2)37-17-30(3,4)39-29-24(32)11-19(12-27(29)37)22-14-28(34-15-25(22)33)35-20-7-8-26(23(31)13-20)36(5)21-9-10-38-16-21;1-5-17(2)36-16-29(3,4)38-28-23(31)10-18(11-26(28)36)21-13-27(33-14-24(21)32)35-19-6-7-25(22(30)12-19)34-20-8-9-37-15-20;1-7-17(2)35-16-28(3,4)38-27-23(30)10-19(11-25(27)35)21-13-26(32-14-24(21)31)33-20-9-8-18(22(29)12-20)15-34(5)39(6,36)37;1-5-15(2)35-14-27(3,4)37-25-20(29)10-17(11-22(25)35)24-21(30)13-32-26(34-24)33-18-8-6-16(19(28)12-18)7-9-23(31)36;1-6-15(2)34-14-26(3,4)37-24-20(28)9-17(10-22(24)34)23-21(29)13-30-25(33-23)32-18-8-7-16(19(27)11-18)12-31-38(5,35)36/h6-7,13-16,18-19H,5,8-12,17H2,1-4H3,(H2,35,41)(H,36,37,38);7-8,11-15,18,21H,6,9-10,16-17H2,1-5H3,(H,34,35);6-7,10-14,17,20,34H,5,8-9,15-16H2,1-4H3,(H,33,35);8-14,17H,7,15-16H2,1-6H3,(H,32,33);6,8,10-13,15H,5,7,9,14H2,1-4H3,(H2,31,36)(H,32,33,34);7-11,13,15,31H,6,12,14H2,1-5H3,(H,30,32,33).

What are the key properties of N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide?

N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide has a molecular weight of 3275.74 g/mol, XLogP of 36.92, 45 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]amino]-2-fluorophenyl]methyl]-N-methylmethanesulfonamide;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-methyl-1-N-(oxolan-3-yl)benzene-1,4-diamine;4-N-[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoro-2-pyridinyl]-2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine;N-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]methanesulfonamide;4-[[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]methyl]piperidine-1-carboxamide;3-[4-[[4-(4-butan-2-yl-8-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-5-fluoropyrimidin-2-yl]amino]-2-fluorophenyl]propanamide is sourced from PubChem (CID 163788705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).