6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C170H189B3BrCl2N31O22P2 — CID 158566129

IUPAC6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
SMILESBrc1ccc2cc[nH]c2c1.CC(C)(C)OC(=O)N(c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1)c1ccnc(-c2ccc3cc(P(C)(C)=O)[nH]c3c2)n1.CC(C)(C)OC(=O)N(c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1)c1ccnc(-c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)n1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(-c4ccc5cc[nH]c5c4)n3)cc2)cn1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(Cl)n3)cc2)cn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc[nH]c3c2)OC1(C)C.CP(C)(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1.Cl
InChIInChI=1S/C36H40N6O6.C33H37N6O5P.C26H24N6O2.C23H21N6OP.C18H18ClN5O2.C14H18BNO2.C12H24B2O4.C8H6BrN.ClH/c1-34(2,3)46-31(43)40-19-17-24-10-11-25(20-28(24)40)30-37-18-16-29(39-30)42(33(45)48-36(7,8)9)27-14-12-23(13-15-27)26-21-38-41(22-26)32(44)47-35(4,5)6;1-32(2,3)43-30(40)38-20-24(19-35-38)21-11-13-25(14-12-21)39(31(41)44-33(4,5)6)27-15-16-34-29(37-27)23-10-9-22-18-28(45(7,8)42)36-26(22)17-23;1-26(2,3)34-25(33)32-16-20(15-29-32)17-6-8-21(9-7-17)30-23-11-13-28-24(31-23)19-5-4-18-10-12-27-22(18)14-19;1-31(2,30)22-12-16-3-4-17(11-20(16)28-22)23-24-10-9-21(29-23)27-19-7-5-15(6-8-19)18-13-25-26-14-18;1-18(2,3)26-17(25)24-11-13(10-21-24)12-4-6-14(7-5-12)22-15-8-9-20-16(19)23-15;1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-7-2-1-6-3-4-10-8(6)5-7;/h10-22H,1-9H3;9-20,36H,1-8H3;4-16,27H,1-3H3,(H,28,30,31);3-14,28H,1-2H3,(H,25,26)(H,24,27,29);4-11H,1-3H3,(H,20,22,23);5-9,16H,1-4H3;1-8H3;1-5,10H;1H
InChIKeyXYMSQIRBYMJOKQ-UHFFFAOYSA-N
MW3263.77 g/mol
LogP39.80
Rot. Bonds23

About 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 158566129) has the molecular formula C170H189B3BrCl2N31O22P2 and a molecular weight of 3263.77 g/mol. Its IUPAC name is 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

Compound Name6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
PubChem CID158566129
Molecular FormulaC170H189B3BrCl2N31O22P2
Molecular Weight3263.77 g/mol
Exact Mass3260.29
IUPAC Name6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
SMILESBrc1ccc2cc[nH]c2c1.CC(C)(C)OC(=O)N(c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1)c1ccnc(-c2ccc3cc(P(C)(C)=O)[nH]c3c2)n1.CC(C)(C)OC(=O)N(c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1)c1ccnc(-c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)n1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(-c4ccc5cc[nH]c5c4)n3)cc2)cn1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(Cl)n3)cc2)cn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc[nH]c3c2)OC1(C)C.CP(C)(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1.Cl
InChIInChI=1S/C36H40N6O6.C33H37N6O5P.C26H24N6O2.C23H21N6OP.C18H18ClN5O2.C14H18BNO2.C12H24B2O4.C8H6BrN.ClH/c1-34(2,3)46-31(43)40-19-17-24-10-11-25(20-28(24)40)30-37-18-16-29(39-30)42(33(45)48-36(7,8)9)27-14-12-23(13-15-27)26-21-38-41(22-26)32(44)47-35(4,5)6;1-32(2,3)43-30(40)38-20-24(19-35-38)21-11-13-25(14-12-21)39(31(41)44-33(4,5)6)27-15-16-34-29(37-27)23-10-9-22-18-28(45(7,8)42)36-26(22)17-23;1-26(2,3)34-25(33)32-16-20(15-29-32)17-6-8-21(9-7-17)30-23-11-13-28-24(31-23)19-5-4-18-10-12-27-22(18)14-19;1-31(2,30)22-12-16-3-4-17(11-20(16)28-22)23-24-10-9-21(29-23)27-19-7-5-15(6-8-19)18-13-25-26-14-18;1-18(2,3)26-17(25)24-11-13(10-21-24)12-4-6-14(7-5-12)22-15-8-9-20-16(19)23-15;1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-7-2-1-6-3-4-10-8(6)5-7;/h10-22H,1-9H3;9-20,36H,1-8H3;4-16,27H,1-3H3,(H,28,30,31);3-14,28H,1-2H3,(H,25,26)(H,24,27,29);4-11H,1-3H3,(H,20,22,23);5-9,16H,1-4H3;1-8H3;1-5,10H;1H
InChIKeyXYMSQIRBYMJOKQ-UHFFFAOYSA-N
XLogP39.80
TPSA628.93 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds23
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003263.77
LogP ≤ 539.80
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
The IUPAC name of 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 158566129) is 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.
What is the SMILES notation for 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
The canonical SMILES for 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is Brc1ccc2cc[nH]c2c1.CC(C)(C)OC(=O)N(c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1)c1ccnc(-c2ccc3cc(P(C)(C)=O)[nH]c3c2)n1.CC(C)(C)OC(=O)N(c1ccc(-c2cnn(C(=O)OC(C)(C)C)c2)cc1)c1ccnc(-c2ccc3ccn(C(=O)OC(C)(C)C)c3c2)n1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(-c4ccc5cc[nH]c5c4)n3)cc2)cn1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(Cl)n3)cc2)cn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc[nH]c3c2)OC1(C)C.CP(C)(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1.Cl.
What is the InChIKey of 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
The InChIKey is XYMSQIRBYMJOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N6O6.C33H37N6O5P.C26H24N6O2.C23H21N6OP.C18H18ClN5O2.C14H18BNO2.C12H24B2O4.C8H6BrN.ClH/c1-34(2,3)46-31(43)40-19-17-24-10-11-25(20-28(24)40)30-37-18-16-29(39-30)42(33(45)48-36(7,8)9)27-14-12-23(13-15-27)26-21-38-41(22-26)32(44)47-35(4,5)6;1-32(2,3)43-30(40)38-20-24(19-35-38)21-11-13-25(14-12-21)39(31(41)44-33(4,5)6)27-15-16-34-29(37-27)23-10-9-22-18-28(45(7,8)42)36-26(22)17-23;1-26(2,3)34-25(33)32-16-20(15-29-32)17-6-8-21(9-7-17)30-23-11-13-28-24(31-23)19-5-4-18-10-12-27-22(18)14-19;1-31(2,30)22-12-16-3-4-17(11-20(16)28-22)23-24-10-9-21(29-23)27-19-7-5-15(6-8-19)18-13-25-26-14-18;1-18(2,3)26-17(25)24-11-13(10-21-24)12-4-6-14(7-5-12)22-15-8-9-20-16(19)23-15;1-13(2)14(3,4)18-15(17-13)11-6-5-10-7-8-16-12(10)9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-7-2-1-6-3-4-10-8(6)5-7;/h10-22H,1-9H3;9-20,36H,1-8H3;4-16,27H,1-3H3,(H,28,30,31);3-14,28H,1-2H3,(H,25,26)(H,24,27,29);4-11H,1-3H3,(H,20,22,23);5-9,16H,1-4H3;1-8H3;1-5,10H;1H.
What are the key properties of 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?
6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 3263.77 g/mol, XLogP of 39.80, 23 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(2-dimethylphosphoryl-1H-indol-6-yl)pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 4-[4-[[2-(1H-indol-6-yl)pyrimidin-4-yl]amino]phenyl]pyrazole-1-carboxylate;tert-butyl 6-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]anilino]pyrimidin-2-yl]indole-1-carboxylate;2-(2-dimethylphosphoryl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 158566129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).