tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

C123H140B4BrCl4N21O20 — CID 161425690

About tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine

tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 161425690) has the molecular formula C123H140B4BrCl4N21O20 and a molecular weight of 2497.56 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
• PubChem CID: 161425690
• Molecular Formula: C123H140B4BrCl4N21O20
• Molecular Weight: 2497.56 g/mol
• Exact Mass: 2493.89
• IUPAC Name: tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
• SMILES: CC(C)(C)OC(=O)N[C@H](COc1cnc(Cl)c(Br)c1)Cc1c[nH]c2ccccc12.CC1(C)COB(B2OCC(C)(C)CO2)OC1.CC1(C)COB(c2cc(OC[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)cnc2Cl)OC1.Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12.Cc1[nH]nc2ccc(-c3cc(OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cnc3Cl)nc12.Cc1[nH]nc2ccc(Cl)nc12.OB(O)c1ccoc1
• InChI: InChI=1S/C28H29ClN6O3.C27H24N6O2.C26H33BClN3O5.C21H23BrClN3O3.C10H20B2O4.C7H6ClN3.C4H5BO3/c1-16-25-24(35-34-16)10-9-23(33-25)21-12-19(14-31-26(21)29)37-15-18(32-27(36)38-28(2,3)4)11-17-13-30-22-8-6-5-7-20(17)22;1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23;1-25(2,3)36-24(32)31-18(10-17-12-29-22-9-7-6-8-20(17)22)14-33-19-11-21(23(28)30-13-19)27-34-15-26(4,5)16-35-27;1-21(2,3)29-20(27)26-14(12-28-15-9-17(22)19(23)25-11-15)8-13-10-24-18-7-5-4-6-16(13)18;1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12;1-4-7-5(11-10-4)2-3-6(8)9-7;6-5(7)4-1-2-8-3-4/h5-10,12-14,18,30H,11,15H2,1-4H3,(H,32,36)(H,34,35);2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33);6-9,11-13,18,29H,10,14-16H2,1-5H3,(H,31,32);4-7,9-11,14,24H,8,12H2,1-3H3,(H,26,27);5-8H2,1-4H3;2-3H,1H3,(H,10,11);1-3,6-7H/t18-;19-;18-;14-;;;/m0000.../s1
• InChIKey: VXIDMMVCKRBRNJ-BNCICXOBSA-N
• XLogP: 23.06
• TPSA: 539.48 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.56
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?

The IUPAC name of tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 161425690) is tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.

What is the SMILES notation for tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?

The canonical SMILES for tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is CC(C)(C)OC(=O)N[C@H](COc1cnc(Cl)c(Br)c1)Cc1c[nH]c2ccccc12.CC1(C)COB(B2OCC(C)(C)CO2)OC1.CC1(C)COB(c2cc(OC[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)cnc2Cl)OC1.Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12.Cc1[nH]nc2ccc(-c3cc(OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)cnc3Cl)nc12.Cc1[nH]nc2ccc(Cl)nc12.OB(O)c1ccoc1.

What is the InChIKey of tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?

The InChIKey is VXIDMMVCKRBRNJ-BNCICXOBSA-N. The full InChI is InChI=1S/C28H29ClN6O3.C27H24N6O2.C26H33BClN3O5.C21H23BrClN3O3.C10H20B2O4.C7H6ClN3.C4H5BO3/c1-16-25-24(35-34-16)10-9-23(33-25)21-12-19(14-31-26(21)29)37-15-18(32-27(36)38-28(2,3)4)11-17-13-30-22-8-6-5-7-20(17)22;1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23;1-25(2,3)36-24(32)31-18(10-17-12-29-22-9-7-6-8-20(17)22)14-33-19-11-21(23(28)30-13-19)27-34-15-26(4,5)16-35-27;1-21(2,3)29-20(27)26-14(12-28-15-9-17(22)19(23)25-11-15)8-13-10-24-18-7-5-4-6-16(13)18;1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12;1-4-7-5(11-10-4)2-3-6(8)9-7;6-5(7)4-1-2-8-3-4/h5-10,12-14,18,30H,11,15H2,1-4H3,(H,32,36)(H,34,35);2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33);6-9,11-13,18,29H,10,14-16H2,1-5H3,(H,31,32);4-7,9-11,14,24H,8,12H2,1-3H3,(H,26,27);5-8H2,1-4H3;2-3H,1H3,(H,10,11);1-3,6-7H/t18-;19-;18-;14-;;;/m0000.../s1.

What are the key properties of tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?

tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 2497.56 g/mol, XLogP of 23.06, 29 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 161425690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).