tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)

C221H252B2BrF3I12N34O29V4-4 — CID 158217688

IUPACtert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)c(-c3cc5c(-c6ccccc6F)cncc5n3C(=O)OC(C)(C)C)nn4C(=O)OC(C)(C)C)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)c(I)nn4C(=O)OC(C)(C)C)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(cnn4C4CCCCO4)c3)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccccc3F)cncc21.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2)OC1(C)C.CCI.C[C-](I)I.Fc1ccccc1-c1cncc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)cc12.I[C-](I)I.I[CH-]I.I[V]I.Ic1[nH]nc2ccc(-c3cncc(OC4CCNCC4)c3)cc12.[CH3-].[V].[V].[V].c1ncc(-c2ccc3[nH]ncc3c2)cc1OC1CCNCC1
InChIInChI=1S/C45H49FN6O7.C30H25FN6O.C27H33IN4O5.C27H34N4O4.C18H18BFN2O4.C18H25BN2O3.C17H17IN4O.C17H18N4O.C15H21BrN2O3.C2H3I2.C2H5I.CI3.CHI2.CH3.2HI.4V/c1-43(2,3)57-40(53)50-18-16-29(17-19-50)56-30-20-28(23-47-24-30)27-14-15-36-33(21-27)39(49-52(36)42(55)59-45(7,8)9)37-22-32-34(31-12-10-11-13-35(31)46)25-48-26-38(32)51(37)41(54)58-44(4,5)6;31-26-4-2-1-3-22(26)25-16-34-17-29-23(25)13-28(35-29)30-24-12-18(5-6-27(24)36-37-30)19-11-21(15-33-14-19)38-20-7-9-32-10-8-20;1-26(2,3)36-24(33)31-11-9-19(10-12-31)35-20-13-18(15-29-16-20)17-7-8-22-21(14-17)23(28)30-32(22)25(34)37-27(4,5)6;1-27(2,3)35-26(32)30-11-9-22(10-12-30)34-23-15-20(16-28-18-23)19-7-8-24-21(14-19)17-29-31(24)25-6-4-5-13-33-25;1-18(2,3)26-17(23)22-15-10-21-9-13(11-6-4-5-7-14(11)20)12(15)8-16(22)19(24)25;1-17(2)18(3,4)24-19(23-17)14-8-9-15-13(11-14)12-20-21(15)16-7-5-6-10-22-16;18-17-15-8-11(1-2-16(15)21-22-17)12-7-14(10-20-9-12)23-13-3-5-19-6-4-13;1-2-17-14(10-20-21-17)7-12(1)13-8-16(11-19-9-13)22-15-3-5-18-6-4-15;1-15(2,3)21-14(19)18-6-4-12(5-7-18)20-13-8-11(16)9-17-10-13;1-2(3)4;1-2-3;2-1(3)4;2-1-3;;;;;;;/h10-15,20-26,29H,16-19H2,1-9H3;1-6,11-17,20,32,35H,7-10H2,(H,36,37);7-8,13-16,19H,9-12H2,1-6H3;7-8,14-18,22,25H,4-6,9-13H2,1-3H3;4-10,24-25H,1-3H3;8-9,11-12,16H,5-7,10H2,1-4H3;1-2,7-10,13,19H,3-6H2,(H,21,22);1-2,7-11,15,18H,3-6H2,(H,20,21);8-10,12H,4-7H2,1-3H3;1H3;2H2,1H3;;1H;1H3;2*1H;;;;/q;;;;;;;;;-1;;3*-1;;;;;;+2/p-2
InChIKeyBDJUMEVAJOWXPZ-UHFFFAOYSA-L
MW5733.80 g/mol
LogP54.02
Rot. Bonds29

About tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)

tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium) (PubChem CID 158217688) has the molecular formula C221H252B2BrF3I12N34O29V4-4 and a molecular weight of 5733.80 g/mol. Its IUPAC name is tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium).

Molecular Properties

Compound Nametert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)
PubChem CID158217688
Molecular FormulaC221H252B2BrF3I12N34O29V4-4
Molecular Weight5733.80 g/mol
Exact Mass5730.49
IUPAC Nametert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)c(-c3cc5c(-c6ccccc6F)cncc5n3C(=O)OC(C)(C)C)nn4C(=O)OC(C)(C)C)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)c(I)nn4C(=O)OC(C)(C)C)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(cnn4C4CCCCO4)c3)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccccc3F)cncc21.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2)OC1(C)C.CCI.C[C-](I)I.Fc1ccccc1-c1cncc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)cc12.I[C-](I)I.I[CH-]I.I[V]I.Ic1[nH]nc2ccc(-c3cncc(OC4CCNCC4)c3)cc12.[CH3-].[V].[V].[V].c1ncc(-c2ccc3[nH]ncc3c2)cc1OC1CCNCC1
InChIInChI=1S/C45H49FN6O7.C30H25FN6O.C27H33IN4O5.C27H34N4O4.C18H18BFN2O4.C18H25BN2O3.C17H17IN4O.C17H18N4O.C15H21BrN2O3.C2H3I2.C2H5I.CI3.CHI2.CH3.2HI.4V/c1-43(2,3)57-40(53)50-18-16-29(17-19-50)56-30-20-28(23-47-24-30)27-14-15-36-33(21-27)39(49-52(36)42(55)59-45(7,8)9)37-22-32-34(31-12-10-11-13-35(31)46)25-48-26-38(32)51(37)41(54)58-44(4,5)6;31-26-4-2-1-3-22(26)25-16-34-17-29-23(25)13-28(35-29)30-24-12-18(5-6-27(24)36-37-30)19-11-21(15-33-14-19)38-20-7-9-32-10-8-20;1-26(2,3)36-24(33)31-11-9-19(10-12-31)35-20-13-18(15-29-16-20)17-7-8-22-21(14-17)23(28)30-32(22)25(34)37-27(4,5)6;1-27(2,3)35-26(32)30-11-9-22(10-12-30)34-23-15-20(16-28-18-23)19-7-8-24-21(14-19)17-29-31(24)25-6-4-5-13-33-25;1-18(2,3)26-17(23)22-15-10-21-9-13(11-6-4-5-7-14(11)20)12(15)8-16(22)19(24)25;1-17(2)18(3,4)24-19(23-17)14-8-9-15-13(11-14)12-20-21(15)16-7-5-6-10-22-16;18-17-15-8-11(1-2-16(15)21-22-17)12-7-14(10-20-9-12)23-13-3-5-19-6-4-13;1-2-17-14(10-20-21-17)7-12(1)13-8-16(11-19-9-13)22-15-3-5-18-6-4-15;1-15(2,3)21-14(19)18-6-4-12(5-7-18)20-13-8-11(16)9-17-10-13;1-2(3)4;1-2-3;2-1(3)4;2-1-3;;;;;;;/h10-15,20-26,29H,16-19H2,1-9H3;1-6,11-17,20,32,35H,7-10H2,(H,36,37);7-8,13-16,19H,9-12H2,1-6H3;7-8,14-18,22,25H,4-6,9-13H2,1-3H3;4-10,24-25H,1-3H3;8-9,11-12,16H,5-7,10H2,1-4H3;1-2,7-10,13,19H,3-6H2,(H,21,22);1-2,7-11,15,18H,3-6H2,(H,20,21);8-10,12H,4-7H2,1-3H3;1H3;2H2,1H3;;1H;1H3;2*1H;;;;/q;;;;;;;;;-1;;3*-1;;;;;;+2/p-2
InChIKeyBDJUMEVAJOWXPZ-UHFFFAOYSA-L
XLogP54.02
TPSA713.31 Ų
H-Bond Donors9
H-Bond Acceptors55
Rotatable Bonds29
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005733.80
LogP ≤ 554.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1055

Analyze tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)?
The IUPAC name of tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium) (CID 158217688) is tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium).
What is the SMILES notation for tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)?
The canonical SMILES for tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium) is CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)c(-c3cc5c(-c6ccccc6F)cncc5n3C(=O)OC(C)(C)C)nn4C(=O)OC(C)(C)C)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(c3)c(I)nn4C(=O)OC(C)(C)C)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(-c3ccc4c(cnn4C4CCCCO4)c3)c2)CC1.CC(C)(C)OC(=O)N1CCC(Oc2cncc(Br)c2)CC1.CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccccc3F)cncc21.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2)OC1(C)C.CCI.C[C-](I)I.Fc1ccccc1-c1cncc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)cc12.I[C-](I)I.I[CH-]I.I[V]I.Ic1[nH]nc2ccc(-c3cncc(OC4CCNCC4)c3)cc12.[CH3-].[V].[V].[V].c1ncc(-c2ccc3[nH]ncc3c2)cc1OC1CCNCC1.
What is the InChIKey of tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)?
The InChIKey is BDJUMEVAJOWXPZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C45H49FN6O7.C30H25FN6O.C27H33IN4O5.C27H34N4O4.C18H18BFN2O4.C18H25BN2O3.C17H17IN4O.C17H18N4O.C15H21BrN2O3.C2H3I2.C2H5I.CI3.CHI2.CH3.2HI.4V/c1-43(2,3)57-40(53)50-18-16-29(17-19-50)56-30-20-28(23-47-24-30)27-14-15-36-33(21-27)39(49-52(36)42(55)59-45(7,8)9)37-22-32-34(31-12-10-11-13-35(31)46)25-48-26-38(32)51(37)41(54)58-44(4,5)6;31-26-4-2-1-3-22(26)25-16-34-17-29-23(25)13-28(35-29)30-24-12-18(5-6-27(24)36-37-30)19-11-21(15-33-14-19)38-20-7-9-32-10-8-20;1-26(2,3)36-24(33)31-11-9-19(10-12-31)35-20-13-18(15-29-16-20)17-7-8-22-21(14-17)23(28)30-32(22)25(34)37-27(4,5)6;1-27(2,3)35-26(32)30-11-9-22(10-12-30)34-23-15-20(16-28-18-23)19-7-8-24-21(14-19)17-29-31(24)25-6-4-5-13-33-25;1-18(2,3)26-17(23)22-15-10-21-9-13(11-6-4-5-7-14(11)20)12(15)8-16(22)19(24)25;1-17(2)18(3,4)24-19(23-17)14-8-9-15-13(11-14)12-20-21(15)16-7-5-6-10-22-16;18-17-15-8-11(1-2-16(15)21-22-17)12-7-14(10-20-9-12)23-13-3-5-19-6-4-13;1-2-17-14(10-20-21-17)7-12(1)13-8-16(11-19-9-13)22-15-3-5-18-6-4-15;1-15(2,3)21-14(19)18-6-4-12(5-7-18)20-13-8-11(16)9-17-10-13;1-2(3)4;1-2-3;2-1(3)4;2-1-3;;;;;;;/h10-15,20-26,29H,16-19H2,1-9H3;1-6,11-17,20,32,35H,7-10H2,(H,36,37);7-8,13-16,19H,9-12H2,1-6H3;7-8,14-18,22,25H,4-6,9-13H2,1-3H3;4-10,24-25H,1-3H3;8-9,11-12,16H,5-7,10H2,1-4H3;1-2,7-10,13,19H,3-6H2,(H,21,22);1-2,7-11,15,18H,3-6H2,(H,20,21);8-10,12H,4-7H2,1-3H3;1H3;2H2,1H3;;1H;1H3;2*1H;;;;/q;;;;;;;;;-1;;3*-1;;;;;;+2/p-2.
What are the key properties of tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium)?
tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium) has a molecular weight of 5733.80 g/mol, XLogP of 54.02, 29 rotatable bonds, 9 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 3-iodo-5-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-pyridinyl]indazole-1-carboxylate;tert-butyl 4-[[5-[1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate;carbanide;1,1-diiodoethane;diiodomethane;diiodovanadium;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;iodoethane;3-iodo-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole;triiodomethane;tris(vanadium) is sourced from PubChem (CID 158217688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).