3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid

C104H114BBr3Cl6FN17O8 — CID 157175999

About 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid

3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid (PubChem CID 157175999) has the molecular formula C104H114BBr3Cl6FN17O8 and a molecular weight of 2212.41 g/mol. Its IUPAC name is 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid.

Molecular Properties

• Compound Name: 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid
• PubChem CID: 157175999
• Molecular Formula: C104H114BBr3Cl6FN17O8
• Molecular Weight: 2212.41 g/mol
• Exact Mass: 2205.48
• IUPAC Name: 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid
• SMILES: Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1ncc(Cl)cc1Cl)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CN(c1ncc(Cl)cc1Cl)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CNCC2.Fc1ncc(Cl)cc1Cl.OB(O)c1ccc2[nH]ccc2c1
• InChI: InChI=1S/C30H29Cl2N5O.C22H23BrCl2N4O.C22H30BrN3O3.C17H22BrN3O.C8H8BNO2.C5H2Cl2FN/c1-18(2)17-38-27-6-4-5-19(3)28(27)37-29(21-7-8-25-20(13-21)9-11-33-25)23-16-36(12-10-26(23)35-37)30-24(32)14-22(31)15-34-30;1-13(2)12-30-19-6-4-5-14(3)20(19)29-21(23)16-11-28(8-7-18(16)27-29)22-17(25)9-15(24)10-26-22;1-14(2)13-28-18-9-7-8-15(3)19(18)26-20(23)16-12-25(11-10-17(16)24-26)21(27)29-22(4,5)6;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;6-3-1-4(7)5(8)9-2-3/h4-9,11,13-15,18,33H,10,12,16-17H2,1-3H3;4-6,9-10,13H,7-8,11-12H2,1-3H3;7-9,14H,10-13H2,1-6H3;4-6,11,19H,7-10H2,1-3H3;1-5,10-12H;1-2H
• InChIKey: ANZXTBORLCFJAK-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 266.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.41
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid (CID 157175999) is 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid.

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

The canonical SMILES for 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid is Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(c1ncc(Cl)cc1Cl)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CN(C(=O)OC(C)(C)C)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CN(c1ncc(Cl)cc1Cl)CC2.Cc1cccc(OCC(C)C)c1-n1nc2c(c1Br)CNCC2.Fc1ncc(Cl)cc1Cl.OB(O)c1ccc2[nH]ccc2c1.

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

The InChIKey is ANZXTBORLCFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2N5O.C22H23BrCl2N4O.C22H30BrN3O3.C17H22BrN3O.C8H8BNO2.C5H2Cl2FN/c1-18(2)17-38-27-6-4-5-19(3)28(27)37-29(21-7-8-25-20(13-21)9-11-33-25)23-16-36(12-10-26(23)35-37)30-24(32)14-22(31)15-34-30;1-13(2)12-30-19-6-4-5-14(3)20(19)29-21(23)16-11-28(8-7-18(16)27-29)22-17(25)9-15(24)10-26-22;1-14(2)13-28-18-9-7-8-15(3)19(18)26-20(23)16-12-25(11-10-17(16)24-26)21(27)29-22(4,5)6;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;6-3-1-4(7)5(8)9-2-3/h4-9,11,13-15,18,33H,10,12,16-17H2,1-3H3;4-6,9-10,13H,7-8,11-12H2,1-3H3;7-9,14H,10-13H2,1-6H3;4-6,11,19H,7-10H2,1-3H3;1-5,10-12H;1-2H.

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

3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid has a molecular weight of 2212.41 g/mol, XLogP of 25.14, 20 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;tert-butyl 3-bromo-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3,5-dichloro-2-fluoropyridine;5-(3,5-dichloro-2-pyridinyl)-3-(1H-indol-5-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1H-indol-5-ylboronic acid is sourced from PubChem (CID 157175999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).