1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide

C190H199F8N31O23 — CID 167539591

About 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide

1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 167539591) has the molecular formula C190H199F8N31O23 and a molecular weight of 3436.86 g/mol. Its IUPAC name is 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

• Compound Name: 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide
• PubChem CID: 167539591
• Molecular Formula: C190H199F8N31O23
• Molecular Weight: 3436.86 g/mol
• Exact Mass: 3434.52
• IUPAC Name: 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide
• SMILES: Cc1c(NC(=O)c2ccc(C(C)(C)F)cc2F)cc(F)cc1-c1ncnc2[nH]c(-c3ccc(CN(C)CCCNC(=O)COc4cccc(N5CCC(=O)NC5=O)c4)cc3)cc12.Cc1c(NC(=O)c2ccc(C(C)(C)O)cc2F)cc(F)cc1-c1ncnc2[nH]c(-c3ccc(CCCCCCCCOc4cccc(N5CCC(=O)NC5=O)c4)cc3)cc12.Cc1c(NC(=O)c2ccc(C(C)(C)O)cc2F)cc(F)cc1-c1ncnc2[nH]c(-c3ccc(CN4CCC(CCNC(=O)COc5cccc(N6CCC(=O)NC6=O)c5)CC4)cc3)cc12.Cc1ccc(OCC(=O)N2CCN(CCCOc3ccc(-c4cc5c(-c6cc(F)cc(CC(=O)N7CC(O)(CC(C)(C)C)C7)c6C)ncnc5[nH]4)cn3)CC2)cc1N1CCC(=O)NC1=O
• InChI: InChI=1S/C49H50F2N8O6.C48H56FN9O7.C47H48F2N6O5.C46H45F3N8O5/c1-29-38(22-34(50)23-41(29)56-47(62)37-12-11-33(21-40(37)51)49(2,3)64)45-39-25-42(55-46(39)54-28-53-45)32-9-7-31(8-10-32)26-58-18-14-30(15-19-58)13-17-52-44(61)27-65-36-6-4-5-35(24-36)59-20-16-43(60)57-48(59)63;1-30-7-9-35(22-39(30)58-13-11-40(59)54-46(58)62)65-25-43(61)56-16-14-55(15-17-56)12-6-18-64-41-10-8-32(24-50-41)38-23-37-44(51-29-52-45(37)53-38)36-21-34(49)19-33(31(36)2)20-42(60)57-27-48(63,28-57)26-47(3,4)5;1-29-37(24-33(48)25-40(29)53-45(57)36-19-18-32(23-39(36)49)47(2,3)59)43-38-27-41(52-44(38)51-28-50-43)31-16-14-30(15-17-31)11-8-6-4-5-7-9-22-60-35-13-10-12-34(26-35)55-21-20-42(56)54-46(55)58;1-27-35(20-31(47)21-38(27)54-44(60)34-14-13-30(19-37(34)48)46(2,3)49)42-36-23-39(53-43(36)52-26-51-42)29-11-9-28(10-12-29)24-56(4)17-6-16-50-41(59)25-62-33-8-5-7-32(22-33)57-18-15-40(58)55-45(57)61/h4-12,21-25,28,30,64H,13-20,26-27H2,1-3H3,(H,52,61)(H,56,62)(H,53,54,55)(H,57,60,63);7-10,19,21-24,29,63H,6,11-18,20,25-28H2,1-5H3,(H,51,52,53)(H,54,59,62);10,12-19,23-28,59H,4-9,11,20-22H2,1-3H3,(H,53,57)(H,50,51,52)(H,54,56,58);5,7-14,19-23,26H,6,15-18,24-25H2,1-4H3,(H,50,59)(H,54,60)(H,51,52,53)(H,55,58,61)
• InChIKey: AZOXAIBCTLNRTI-UHFFFAOYSA-N
• XLogP: 30.60
• TPSA: 679.49 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 35
• Rotatable Bonds: 59
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3436.86
LogP ≤ 5	30.60
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide?

The IUPAC name of 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide (CID 167539591) is 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide.

What is the SMILES notation for 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide?

The canonical SMILES for 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)F)cc2F)cc(F)cc1-c1ncnc2[nH]c(-c3ccc(CN(C)CCCNC(=O)COc4cccc(N5CCC(=O)NC5=O)c4)cc3)cc12.Cc1c(NC(=O)c2ccc(C(C)(C)O)cc2F)cc(F)cc1-c1ncnc2[nH]c(-c3ccc(CCCCCCCCOc4cccc(N5CCC(=O)NC5=O)c4)cc3)cc12.Cc1c(NC(=O)c2ccc(C(C)(C)O)cc2F)cc(F)cc1-c1ncnc2[nH]c(-c3ccc(CN4CCC(CCNC(=O)COc5cccc(N6CCC(=O)NC6=O)c5)CC4)cc3)cc12.Cc1ccc(OCC(=O)N2CCN(CCCOc3ccc(-c4cc5c(-c6cc(F)cc(CC(=O)N7CC(O)(CC(C)(C)C)C7)c6C)ncnc5[nH]4)cn3)CC2)cc1N1CCC(=O)NC1=O.

What is the InChIKey of 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide?

The InChIKey is AZOXAIBCTLNRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50F2N8O6.C48H56FN9O7.C47H48F2N6O5.C46H45F3N8O5/c1-29-38(22-34(50)23-41(29)56-47(62)37-12-11-33(21-40(37)51)49(2,3)64)45-39-25-42(55-46(39)54-28-53-45)32-9-7-31(8-10-32)26-58-18-14-30(15-19-58)13-17-52-44(61)27-65-36-6-4-5-35(24-36)59-20-16-43(60)57-48(59)63;1-30-7-9-35(22-39(30)58-13-11-40(59)54-46(58)62)65-25-43(61)56-16-14-55(15-17-56)12-6-18-64-41-10-8-32(24-50-41)38-23-37-44(51-29-52-45(37)53-38)36-21-34(49)19-33(31(36)2)20-42(60)57-27-48(63,28-57)26-47(3,4)5;1-29-37(24-33(48)25-40(29)53-45(57)36-19-18-32(23-39(36)49)47(2,3)59)43-38-27-41(52-44(38)51-28-50-43)31-16-14-30(15-17-31)11-8-6-4-5-7-9-22-60-35-13-10-12-34(26-35)55-21-20-42(56)54-46(55)58;1-27-35(20-31(47)21-38(27)54-44(60)34-14-13-30(19-37(34)48)46(2,3)49)42-36-23-39(53-43(36)52-26-51-42)29-11-9-28(10-12-29)24-56(4)17-6-16-50-41(59)25-62-33-8-5-7-32(22-33)57-18-15-40(58)55-45(57)61/h4-12,21-25,28,30,64H,13-20,26-27H2,1-3H3,(H,52,61)(H,56,62)(H,53,54,55)(H,57,60,63);7-10,19,21-24,29,63H,6,11-18,20,25-28H2,1-5H3,(H,51,52,53)(H,54,59,62);10,12-19,23-28,59H,4-9,11,20-22H2,1-3H3,(H,53,57)(H,50,51,52)(H,54,56,58);5,7-14,19-23,26H,6,15-18,24-25H2,1-4H3,(H,50,59)(H,54,60)(H,51,52,53)(H,55,58,61).

What are the key properties of 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide?

1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 3436.86 g/mol, XLogP of 30.60, 59 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[4-[3-[[5-[4-[3-[2-[3-(2,2-dimethylpropyl)-3-hydroxyazetidin-1-yl]-2-oxoethyl]-5-fluoro-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione;N-[3-[6-[4-[[4-[2-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]ethyl]piperidin-1-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;N-[3-[6-[4-[[3-[[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-fluoropropan-2-yl)benzamide;N-[3-[6-[4-[8-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]octyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 167539591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).