sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide

C136H173BBr3N14NaO24 — CID 157297781

About sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide

sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide (PubChem CID 157297781) has the molecular formula C136H173BBr3N14NaO24 and a molecular weight of 2661.47 g/mol. Its IUPAC name is sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide
• PubChem CID: 157297781
• Molecular Formula: C136H173BBr3N14NaO24
• Molecular Weight: 2661.47 g/mol
• Exact Mass: 2657.03
• IUPAC Name: sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide
• SMILES: C=CCBr.C=CCN(C(=O)OC(C)(C)C)c1ccncc1-c1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC=C.CC(C)(C)OC(=O)N1C/C=C\Cn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2cnccc21.CC(C)(C)OC(=O)Nc1ccncc1Br.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3NC(=O)OC(C)(C)C)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1.Nc1ccncc1Br.[Na+].[OH-]
• InChI: InChI=1S/C31H37N3O4.C29H33N3O4.C26H31N3O4.C22H30BNO4.C10H13BrN2O2.C10H18O5.C5H5BrN2.C3H5Br.Na.H2O/c1-6-17-33-26-19-22(29(35)36)13-14-23(26)27(21-11-9-8-10-12-21)28(33)24-20-32-16-15-25(24)34(18-7-2)30(37)38-31(3,4)5;1-29(2,3)36-28(35)32-16-8-7-15-31-24-17-20(27(33)34)11-12-21(24)25(19-9-5-4-6-10-19)26(31)22-18-30-14-13-23(22)32;1-26(2,3)33-25(31)29-23-19(11-8-14-27-23)22-21(16-9-6-5-7-10-16)18-13-12-17(24(30)32-4)15-20(18)28-22;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;6-4-3-8-2-1-5(4)7;1-2-3-4;;/h6-7,13-16,19-21H,1-2,8-12,17-18H2,3-5H3,(H,35,36);7-8,11-14,17-19H,4-6,9-10,15-16H2,1-3H3,(H,33,34);8,11-16,28H,5-7,9-10H2,1-4H3,(H,27,29,31);11-14,24H,6-10H2,1-5H3;4-6H,1-3H3,(H,12,13,14);1-6H3;1-3H,(H2,7,8);2H,1,3H2;;1H2/q;;;;;;;;+1;/p-1/b;8-7-
• InChIKey: BBNRLJKFUIKFSN-IOMKLRGESA-M
• XLogP: 30.92
• TPSA: 505.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2661.47
LogP ≤ 5	30.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide?

The IUPAC name of sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide (CID 157297781) is sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide.

What is the SMILES notation for sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide?

The canonical SMILES for sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide is C=CCBr.C=CCN(C(=O)OC(C)(C)C)c1ccncc1-c1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC=C.CC(C)(C)OC(=O)N1C/C=C\Cn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2cnccc21.CC(C)(C)OC(=O)Nc1ccncc1Br.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3NC(=O)OC(C)(C)C)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(B3OC(C)(C)C(C)(C)O3)[nH]c2c1.Nc1ccncc1Br.[Na+].[OH-].

What is the InChIKey of sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide?

The InChIKey is BBNRLJKFUIKFSN-IOMKLRGESA-M. The full InChI is InChI=1S/C31H37N3O4.C29H33N3O4.C26H31N3O4.C22H30BNO4.C10H13BrN2O2.C10H18O5.C5H5BrN2.C3H5Br.Na.H2O/c1-6-17-33-26-19-22(29(35)36)13-14-23(26)27(21-11-9-8-10-12-21)28(33)24-20-32-16-15-25(24)34(18-7-2)30(37)38-31(3,4)5;1-29(2,3)36-28(35)32-16-8-7-15-31-24-17-20(27(33)34)11-12-21(24)25(19-9-5-4-6-10-19)26(31)22-18-30-14-13-23(22)32;1-26(2,3)33-25(31)29-23-19(11-8-14-27-23)22-21(16-9-6-5-7-10-16)18-13-12-17(24(30)32-4)15-20(18)28-22;1-21(2)22(3,4)28-23(27-21)19-18(14-9-7-6-8-10-14)16-12-11-15(20(25)26-5)13-17(16)24-19;1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;6-4-3-8-2-1-5(4)7;1-2-3-4;;/h6-7,13-16,19-21H,1-2,8-12,17-18H2,3-5H3,(H,35,36);7-8,11-14,17-19H,4-6,9-10,15-16H2,1-3H3,(H,33,34);8,11-16,28H,5-7,9-10H2,1-4H3,(H,27,29,31);11-14,24H,6-10H2,1-5H3;4-6H,1-3H3,(H,12,13,14);1-6H3;1-3H,(H2,7,8);2H,1,3H2;;1H2/q;;;;;;;;+1;/p-1/b;8-7-;;;;;;;;.

What are the key properties of sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide?

sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide has a molecular weight of 2661.47 g/mol, XLogP of 30.92, 19 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-bromoprop-1-ene;3-bromopyridin-4-amine;tert-butyl N-(3-bromo-4-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;3-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]-3-pyridinyl]-1-prop-2-enylindole-6-carboxylic acid;(10Z)-20-cyclohexyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-4,8,13-triazatetracyclo[11.7.0.02,7.014,19]icosa-1(20),2(7),3,5,10,14(19),15,17-octaene-16-carboxylic acid;methyl 3-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;hydroxide is sourced from PubChem (CID 157297781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).