5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C20H21N7O2 — CID 175112986

About 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 175112986) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 175112986
• Molecular Formula: C20H21N7O2
• Molecular Weight: 391.44 g/mol
• Exact Mass: 391.18
• IUPAC Name: 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: N#Cc1cnc(Nc2cc(-c3c(O)cccc3OCC3CCCNC3)[nH]n2)cn1
• InChI: InChI=1S/C20H21N7O2/c21-8-14-10-24-19(11-23-14)25-18-7-15(26-27-18)20-16(28)4-1-5-17(20)29-12-13-3-2-6-22-9-13/h1,4-5,7,10-11,13,22,28H,2-3,6,9,12H2,(H2,24,25,26,27)
• InChIKey: FKYHFBNQMFOZHS-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 131.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.44
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 175112986) is 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3c(O)cccc3OCC3CCCNC3)[nH]n2)cn1.

What is the InChIKey of 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is FKYHFBNQMFOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c21-8-14-10-24-19(11-23-14)25-18-7-15(26-27-18)20-16(28)4-1-5-17(20)29-12-13-3-2-6-22-9-13/h1,4-5,7,10-11,13,22,28H,2-3,6,9,12H2,(H2,24,25,26,27).

What are the key properties of 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 391.44 g/mol, XLogP of 2.57, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 175112986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).