5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid

C73H78BBr2Cl4N17O5S3 — CID 157241843

About 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid

5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid (PubChem CID 157241843) has the molecular formula C73H78BBr2Cl4N17O5S3 and a molecular weight of 1682.17 g/mol. Its IUPAC name is 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid.

Molecular Properties

• Compound Name: 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid
• PubChem CID: 157241843
• Molecular Formula: C73H78BBr2Cl4N17O5S3
• Molecular Weight: 1682.17 g/mol
• Exact Mass: 1677.27
• IUPAC Name: 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid
• SMILES: Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1nc(Cl)ns1)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CN(c1nc(Cl)ns1)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CNCC2.Clc1nsc(Cl)n1.OB(O)c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C27H27ClN6OS.C19H21BrClN5OS.C17H22BrN3O.C8H8BNO2.C2Cl2N2S/c1-16(2)15-35-23-6-4-5-17(3)24(23)34-25(19-7-8-21-18(13-19)9-11-29-21)20-14-33(12-10-22(20)31-34)27-30-26(28)32-36-27;1-11(2)10-27-15-6-4-5-12(3)16(15)26-17(20)13-9-25(8-7-14(13)23-26)19-22-18(21)24-28-19;1-11(2)10-22-15-6-4-5-12(3)16(15)21-17(18)13-9-19-8-7-14(13)20-21;11-9(12)7-1-2-8-6(5-7)3-4-10-8;3-1-5-2(4)7-6-1/h4-9,11,13,16,29H,10,12,14-15H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-6,11,19H,7-10H2,1-3H3;1-5,10-12H
• InChIKey: AVHPNNIXWBFHSY-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 249.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1682.17
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid?

The IUPAC name of 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid (CID 157241843) is 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid.

What is the SMILES notation for 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid?

The canonical SMILES for 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid is Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1nc(Cl)ns1)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CN(c1nc(Cl)ns1)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CNCC2.Clc1nsc(Cl)n1.OB(O)c1ccc2[nH]ccc2c1.

What is the InChIKey of 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid?

The InChIKey is AVHPNNIXWBFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6OS.C19H21BrClN5OS.C17H22BrN3O.C8H8BNO2.C2Cl2N2S/c1-16(2)15-35-23-6-4-5-17(3)24(23)34-25(19-7-8-21-18(13-19)9-11-29-21)20-14-33(12-10-22(20)31-34)27-30-26(28)32-36-27;1-11(2)10-27-15-6-4-5-12(3)16(15)26-17(20)13-9-25(8-7-14(13)23-26)19-22-18(21)24-28-19;1-11(2)10-22-15-6-4-5-12(3)16(15)21-17(18)13-9-19-8-7-14(13)20-21;11-9(12)7-1-2-8-6(5-7)3-4-10-8;3-1-5-2(4)7-6-1/h4-9,11,13,16,29H,10,12,14-15H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-6,11,19H,7-10H2,1-3H3;1-5,10-12H;.

What are the key properties of 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid?

5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid has a molecular weight of 1682.17 g/mol, XLogP of 16.79, 16 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-chloro-1,2,4-thiadiazole;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-chloro-5-[3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-thiadiazole;3,5-dichloro-1,2,4-thiadiazole;1H-indol-5-ylboronic acid is sourced from PubChem (CID 157241843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).