3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile

C20H24N8O2 — CID 54758482

About 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 54758482) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
• PubChem CID: 54758482
• Molecular Formula: C20H24N8O2
• Molecular Weight: 408.47 g/mol
• Exact Mass: 408.20
• IUPAC Name: 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
• SMILES: COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1
• InChI: InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1
• InChIKey: IENLGMOXAQMNEH-CYBMUJFWSA-N
• XLogP: 2.22
• TPSA: 114.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.47
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 54758482) is 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile is COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1.

What is the InChIKey of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

The InChIKey is IENLGMOXAQMNEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1.

What are the key properties of 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile?

3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 408.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 54758482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).