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

C30H32N8O3 — CID 163635833

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

6-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163635833) has the molecular formula C30H32N8O3 and a molecular weight of 559.68 g/mol. Its IUPAC name is 6-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]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-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 163635833
• Molecular Formula: C30H32N8O3
• Molecular Weight: 559.68 g/mol
• Exact Mass: 559.30
• IUPAC Name: 6-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: [2H]C([2H])([2H])Oc1ccc(C([2H])([2H])N2C3CC2CN(c2cnc(-c4cc(OC([2H])([2H])C5CNCCO5)cn5ncc(C#N)c45)cn2)C3)cc1
• InChI: InChI=1S/C30H32N8O3/c1-39-24-4-2-20(3-5-24)15-37-22-8-23(37)17-36(16-22)29-14-33-28(13-34-29)27-9-25(41-19-26-12-32-6-7-40-26)18-38-30(27)21(10-31)11-35-38/h2-5,9,11,13-14,18,22-23,26,32H,6-8,12,15-17,19H2,1H3/i1D3,15D2,19D2
• InChIKey: TZMVYFQVALOWTI-IJIUKLEHSA-N
• XLogP: 2.50
• TPSA: 113.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.68
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]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-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163635833) is 6-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]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-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]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-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is [2H]C([2H])([2H])Oc1ccc(C([2H])([2H])N2C3CC2CN(c2cnc(-c4cc(OC([2H])([2H])C5CNCCO5)cn5ncc(C#N)c45)cn2)C3)cc1.

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

The InChIKey is TZMVYFQVALOWTI-IJIUKLEHSA-N. The full InChI is InChI=1S/C30H32N8O3/c1-39-24-4-2-20(3-5-24)15-37-22-8-23(37)17-36(16-22)29-14-33-28(13-34-29)27-9-25(41-19-26-12-32-6-7-40-26)18-38-30(27)21(10-31)11-35-38/h2-5,9,11,13-14,18,22-23,26,32H,6-8,12,15-17,19H2,1H3/i1D3,15D2,19D2.

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

6-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]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 559.68 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[dideuterio(morpholin-2-yl)methoxy]-4-[5-[6-[dideuterio-[4-(trideuteriomethoxy)phenyl]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 163635833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).