6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H32N6O3 — CID 163936193

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

6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163936193) has the molecular formula C30H32N6O3 and a molecular weight of 531.67 g/mol. Its IUPAC name is 6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 163936193
• Molecular Formula: C30H32N6O3
• Molecular Weight: 531.67 g/mol
• Exact Mass: 531.30
• IUPAC Name: 6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: [2H]C([2H])([2H])Oc1ccc(C([2H])([2H])N2C3CC2CN(c2ccc(-c4cc(OC([2H])([2H])C(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cc1
• InChI: InChI=1S/C30H32N6O3/c1-30(2,37)19-39-26-11-27(29-22(12-31)14-33-36(29)18-26)21-6-9-28(32-13-21)34-16-23-10-24(17-34)35(23)15-20-4-7-25(38-3)8-5-20/h4-9,11,13-14,18,23-24,37H,10,15-17,19H2,1-3H3/i3D3,15D2,19D2
• InChIKey: LNVAQIQIPFWXNF-CTPBBYNOSA-N
• XLogP: 3.89
• TPSA: 99.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.67
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163936193) is 6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-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-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is [2H]C([2H])([2H])Oc1ccc(C([2H])([2H])N2C3CC2CN(c2ccc(-c4cc(OC([2H])([2H])C(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cc1.

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

The InChIKey is LNVAQIQIPFWXNF-CTPBBYNOSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-30(2,37)19-39-26-11-27(29-22(12-31)14-33-36(29)18-26)21-6-9-28(32-13-21)34-16-23-10-24(17-34)35(23)15-20-4-7-25(38-3)8-5-20/h4-9,11,13-14,18,23-24,37H,10,15-17,19H2,1-3H3/i3D3,15D2,19D2.

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

6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 531.67 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,1-dideuterio-2-hydroxy-2-methylpropoxy)-4-[6-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163936193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).