1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol

C145H181Br2F10N35O14Si4 — CID 159392996

IUPAC1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]cc(CNCC(C)(C)O)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3c2c(CNCC(C)(C)O)cn3COCC[Si](C)(C)C)ccn1.CC(C)(O)CN.CC(C)(O)CNCc1cn(COCC[Si](C)(C)C)c2nc(-c3cccc(C(F)F)n3)nc(Nc3ccnc(Br)c3)c12.CC(C)(O)CNCc1cn(COCC[Si](C)(C)C)c2nc(-c3cccc(C(F)F)n3)nc(Oc3ccccc3)c12.C[Si](C)(C)CCOCn1cc(C=O)c2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.Nc1ccnc(Br)c1
InChIInChI=1S/C30H40F2N8O3Si.C29H37F2N5O3Si.C28H36BrF2N7O2Si.C25H26F2N4O3Si.C24H26F2N8O2.C5H5BrN2.C4H11NO/c1-19(41)35-24-14-21(10-11-34-24)36-28-25-20(15-33-17-30(2,3)42)16-40(18-43-12-13-44(4,5)6)29(25)39-27(38-28)23-9-7-8-22(37-23)26(31)32;1-29(2,37)18-32-16-20-17-36(19-38-14-15-40(3,4)5)27-24(20)28(39-21-10-7-6-8-11-21)35-26(34-27)23-13-9-12-22(33-23)25(30)31;1-28(2,39)16-32-14-18-15-38(17-40-11-12-41(3,4)5)27-23(18)26(34-19-9-10-33-22(29)13-19)36-25(37-27)21-8-6-7-20(35-21)24(30)31;1-35(2,3)13-12-33-16-31-14-17(15-32)21-24(31)29-23(20-11-7-10-19(28-20)22(26)27)30-25(21)34-18-8-5-4-6-9-18;1-13(35)30-18-9-15(7-8-28-18)31-23-19-14(10-27-12-24(2,3)36)11-29-22(19)33-21(34-23)17-6-4-5-16(32-17)20(25)26;6-5-3-4(7)1-2-8-5;1-4(2,6)3-5/h7-11,14,16,26,33,42H,12-13,15,17-18H2,1-6H3,(H2,34,35,36,38,39,41);6-13,17,25,32,37H,14-16,18-19H2,1-5H3;6-10,13,15,24,32,39H,11-12,14,16-17H2,1-5H3,(H,33,34,36,37);4-11,14-15,22H,12-13,16H2,1-3H3;4-9,11,20,27,36H,10,12H2,1-3H3,(H3,28,29,30,31,33,34,35);1-3H,(H2,7,8);6H,3,5H2,1-2H3
InChIKeyLMIYTBOKIIGTDL-UHFFFAOYSA-N
MW3100.41 g/mol
LogP30.01
Rot. Bonds60

About 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol

1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol (PubChem CID 159392996) has the molecular formula C145H181Br2F10N35O14Si4 and a molecular weight of 3100.41 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol
PubChem CID159392996
Molecular FormulaC145H181Br2F10N35O14Si4
Molecular Weight3100.41 g/mol
Exact Mass3096.18
IUPAC Name1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]cc(CNCC(C)(C)O)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3c2c(CNCC(C)(C)O)cn3COCC[Si](C)(C)C)ccn1.CC(C)(O)CN.CC(C)(O)CNCc1cn(COCC[Si](C)(C)C)c2nc(-c3cccc(C(F)F)n3)nc(Nc3ccnc(Br)c3)c12.CC(C)(O)CNCc1cn(COCC[Si](C)(C)C)c2nc(-c3cccc(C(F)F)n3)nc(Oc3ccccc3)c12.C[Si](C)(C)CCOCn1cc(C=O)c2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.Nc1ccnc(Br)c1
InChIInChI=1S/C30H40F2N8O3Si.C29H37F2N5O3Si.C28H36BrF2N7O2Si.C25H26F2N4O3Si.C24H26F2N8O2.C5H5BrN2.C4H11NO/c1-19(41)35-24-14-21(10-11-34-24)36-28-25-20(15-33-17-30(2,3)42)16-40(18-43-12-13-44(4,5)6)29(25)39-27(38-28)23-9-7-8-22(37-23)26(31)32;1-29(2,37)18-32-16-20-17-36(19-38-14-15-40(3,4)5)27-24(20)28(39-21-10-7-6-8-11-21)35-26(34-27)23-13-9-12-22(33-23)25(30)31;1-28(2,39)16-32-14-18-15-38(17-40-11-12-41(3,4)5)27-23(18)26(34-19-9-10-33-22(29)13-19)36-25(37-27)21-8-6-7-20(35-21)24(30)31;1-35(2,3)13-12-33-16-31-14-17(15-32)21-24(31)29-23(20-11-7-10-19(28-20)22(26)27)30-25(21)34-18-8-5-4-6-9-18;1-13(35)30-18-9-15(7-8-28-18)31-23-19-14(10-27-12-24(2,3)36)11-29-22(19)33-21(34-23)17-6-4-5-16(32-17)20(25)26;6-5-3-4(7)1-2-8-5;1-4(2,6)3-5/h7-11,14,16,26,33,42H,12-13,15,17-18H2,1-6H3,(H2,34,35,36,38,39,41);6-13,17,25,32,37H,14-16,18-19H2,1-5H3;6-10,13,15,24,32,39H,11-12,14,16-17H2,1-5H3,(H,33,34,36,37);4-11,14-15,22H,12-13,16H2,1-3H3;4-9,11,20,27,36H,10,12H2,1-3H3,(H3,28,29,30,31,33,34,35);1-3H,(H2,7,8);6H,3,5H2,1-2H3
InChIKeyLMIYTBOKIIGTDL-UHFFFAOYSA-N
XLogP30.01
TPSA648.47 Ų
H-Bond Donors17
H-Bond Acceptors46
Rotatable Bonds60
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003100.41
LogP ≤ 530.01
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol with MolForge

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Related Compounds

2-(1-aminoethyl)phenol;tert-butyl N-[2-[2-(1-aminoethyl)phenoxy]ethyl]carbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[2-(5,5,5-trifluoro-4-oxopentan-2-yl)phenoxy]ethyl]carbamate;methyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;methyl 2-[1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]ethylamino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;3-methyl-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaen-14-one;3-methyl-17-(2-trimethylsilylethoxymethyl)-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaen-14-one;1,1,1-trifluoro-4-(2-hydroxyphenyl)pentan-2-one
CID 162172822
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 158604574
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-cyclohexyl-2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 160201127
2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 160306732
2-bromo-6-(difluoromethyl)pyridine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;3-fluoropyridin-4-amine
CID 160946711
2-chloro-5-fluoropyridin-4-amine;1-[[4-[(2-chloro-5-fluoro-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5-fluoro-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5-fluoro-2-pyridinyl]acetamide;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol
CID 161941186
2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[6-(difluoromethyl)-2-pyridinyl]-N-(3-fluoro-4-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[(4-methylpiperazin-1-yl)methyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;3-fluoropyridin-4-amine;1-methylpiperazine
CID 162202766

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol (CID 159392996) is 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol is CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]cc(CNCC(C)(C)O)c23)ccn1.CC(=O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3c2c(CNCC(C)(C)O)cn3COCC[Si](C)(C)C)ccn1.CC(C)(O)CN.CC(C)(O)CNCc1cn(COCC[Si](C)(C)C)c2nc(-c3cccc(C(F)F)n3)nc(Nc3ccnc(Br)c3)c12.CC(C)(O)CNCc1cn(COCC[Si](C)(C)C)c2nc(-c3cccc(C(F)F)n3)nc(Oc3ccccc3)c12.C[Si](C)(C)CCOCn1cc(C=O)c2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.Nc1ccnc(Br)c1.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol?
The InChIKey is LMIYTBOKIIGTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F2N8O3Si.C29H37F2N5O3Si.C28H36BrF2N7O2Si.C25H26F2N4O3Si.C24H26F2N8O2.C5H5BrN2.C4H11NO/c1-19(41)35-24-14-21(10-11-34-24)36-28-25-20(15-33-17-30(2,3)42)16-40(18-43-12-13-44(4,5)6)29(25)39-27(38-28)23-9-7-8-22(37-23)26(31)32;1-29(2,37)18-32-16-20-17-36(19-38-14-15-40(3,4)5)27-24(20)28(39-21-10-7-6-8-11-21)35-26(34-27)23-13-9-12-22(33-23)25(30)31;1-28(2,39)16-32-14-18-15-38(17-40-11-12-41(3,4)5)27-23(18)26(34-19-9-10-33-22(29)13-19)36-25(37-27)21-8-6-7-20(35-21)24(30)31;1-35(2,3)13-12-33-16-31-14-17(15-32)21-24(31)29-23(20-11-7-10-19(28-20)22(26)27)30-25(21)34-18-8-5-4-6-9-18;1-13(35)30-18-9-15(7-8-28-18)31-23-19-14(10-27-12-24(2,3)36)11-29-22(19)33-21(34-23)17-6-4-5-16(32-17)20(25)26;6-5-3-4(7)1-2-8-5;1-4(2,6)3-5/h7-11,14,16,26,33,42H,12-13,15,17-18H2,1-6H3,(H2,34,35,36,38,39,41);6-13,17,25,32,37H,14-16,18-19H2,1-5H3;6-10,13,15,24,32,39H,11-12,14,16-17H2,1-5H3,(H,33,34,36,37);4-11,14-15,22H,12-13,16H2,1-3H3;4-9,11,20,27,36H,10,12H2,1-3H3,(H3,28,29,30,31,33,34,35);1-3H,(H2,7,8);6H,3,5H2,1-2H3.
What are the key properties of 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol?
1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol has a molecular weight of 3100.41 g/mol, XLogP of 30.01, 60 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;2-bromopyridin-4-amine;1-[[4-[(2-bromo-4-pyridinyl)amino]-2-[6-(difluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;1-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 159392996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).