5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C22H25N7O2 — CID 171653675

About 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171653675) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171653675
• Molecular Formula: C22H25N7O2
• Molecular Weight: 419.49 g/mol
• Exact Mass: 419.21
• IUPAC Name: 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1nc(C)cc(OC2CCCCCC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C22H25N7O2/c1-14-9-18(31-16-7-5-3-4-6-8-16)21(22(26-14)30-2)17-10-19(29-28-17)27-20-13-24-15(11-23)12-25-20/h9-10,12-13,16H,3-8H2,1-2H3,(H2,25,27,28,29)
• InChIKey: YXOKEFXDQRLWSL-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 121.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.49
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 171653675) is 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1nc(C)cc(OC2CCCCCC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.

What is the InChIKey of 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is YXOKEFXDQRLWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-9-18(31-16-7-5-3-4-6-8-16)21(22(26-14)30-2)17-10-19(29-28-17)27-20-13-24-15(11-23)12-25-20/h9-10,12-13,16H,3-8H2,1-2H3,(H2,25,27,28,29).

What are the key properties of 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 419.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).