6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H29N9O3 — CID 134436586

About 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436586) has the molecular formula C27H29N9O3 and a molecular weight of 527.59 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436586
• Molecular Formula: C27H29N9O3
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.24
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1cnc(CN2C3CC2CN(c2cnc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C27H29N9O3/c1-27(2,37)16-39-21-5-22(26-17(6-28)7-33-36(26)15-21)23-9-31-24(10-30-23)34-13-19-4-20(14-34)35(19)12-18-8-32-25(38-3)11-29-18/h5,7-11,15,19-20,37H,4,12-14,16H2,1-3H3
• InChIKey: UJQPZJCYXZHOSC-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 137.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436586) is 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cnc(CN2C3CC2CN(c2cnc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UJQPZJCYXZHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O3/c1-27(2,37)16-39-21-5-22(26-17(6-28)7-33-36(26)15-21)23-9-31-24(10-30-23)34-13-19-4-20(14-34)35(19)12-18-8-32-25(38-3)11-29-18/h5,7-11,15,19-20,37H,4,12-14,16H2,1-3H3.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 527.59 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[5-[6-[(5-methoxypyrazin-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).