4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane

C54H61BrN16O6 — CID 167700189

About 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane

4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 167700189) has the molecular formula C54H61BrN16O6 and a molecular weight of 1110.09 g/mol. Its IUPAC name is 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

• Compound Name: 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane
• PubChem CID: 167700189
• Molecular Formula: C54H61BrN16O6
• Molecular Weight: 1110.09 g/mol
• Exact Mass: 1108.41
• IUPAC Name: 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane
• SMILES: CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1.COc1ccc(CN2C3CC2CN(c2ccn(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)n2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccn[nH]2)C3)cn1
• InChI: InChI=1S/C27H30N8O3.C15H19N5O.C12H12BrN3O2/c1-27(2,36)17-38-22-9-23(26-19(10-28)12-30-35(26)16-22)34-7-6-24(31-34)32-14-20-8-21(15-32)33(20)13-18-4-5-25(37-3)29-11-18;1-21-15-3-2-11(7-16-15)8-20-12-6-13(20)10-19(9-12)14-4-5-17-18-14;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9/h4-7,9,11-12,16,20-21,36H,8,13-15,17H2,1-3H3;2-5,7,12-13H,6,8-10H2,1H3,(H,17,18);3,5-6,17H,7H2,1-2H3
• InChIKey: YGLUZELHFVLSMS-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 244.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1110.09
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane?

The IUPAC name of 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane (CID 167700189) is 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane.

What is the SMILES notation for 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane?

The canonical SMILES for 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane is CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1.COc1ccc(CN2C3CC2CN(c2ccn(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)n2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccn[nH]2)C3)cn1.

What is the InChIKey of 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane?

The InChIKey is YGLUZELHFVLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O3.C15H19N5O.C12H12BrN3O2/c1-27(2,36)17-38-22-9-23(26-19(10-28)12-30-35(26)16-22)34-7-6-24(31-34)32-14-20-8-21(15-32)33(20)13-18-4-5-25(37-3)29-11-18;1-21-15-3-2-11(7-16-15)8-20-12-6-13(20)10-19(9-12)14-4-5-17-18-14;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9/h4-7,9,11-12,16,20-21,36H,8,13-15,17H2,1-3H3;2-5,7,12-13H,6,8-10H2,1H3,(H,17,18);3,5-6,17H,7H2,1-2H3.

What are the key properties of 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane?

4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 1110.09 g/mol, XLogP of 5.80, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-[3-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(6-methoxy-3-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 167700189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).