6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H29N7O4 — CID 134435846

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435846) has the molecular formula C29H29N7O4 and a molecular weight of 539.60 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435846
• Molecular Formula: C29H29N7O4
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.23
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1cncc(C(=O)N2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)c1
• InChI: InChI=1S/C29H29N7O4/c1-29(2,38)17-40-24-8-25(27-20(9-30)12-33-35(27)16-24)18-4-5-26(32-11-18)34-14-21-7-22(15-34)36(21)28(37)19-6-23(39-3)13-31-10-19/h4-6,8,10-13,16,21-22,38H,7,14-15,17H2,1-3H3
• InChIKey: RWNPMDCVLPGFBZ-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 129.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.60
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435846) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cncc(C(=O)N2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)c1.

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

The InChIKey is RWNPMDCVLPGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O4/c1-29(2,38)17-40-24-8-25(27-20(9-30)12-33-35(27)16-24)18-4-5-26(32-11-18)34-14-21-7-22(15-34)36(21)28(37)19-6-23(39-3)13-31-10-19/h4-6,8,10-13,16,21-22,38H,7,14-15,17H2,1-3H3.

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

6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 539.60 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(5-methoxypyridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).