5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C19H20N8O2 — CID 163407467

About 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 163407467) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 163407467
• Molecular Formula: C19H20N8O2
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.17
• IUPAC Name: 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1cncc(O[C@@H]2CC[C@@H](N)C2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C19H20N8O2/c1-28-15-8-22-9-16(29-13-3-2-11(21)4-13)19(15)14-5-17(27-26-14)25-18-10-23-12(6-20)7-24-18/h5,7-11,13H,2-4,21H2,1H3,(H2,24,25,26,27)/t11-,13-/m1/s1
• InChIKey: KVLJUYBGNKMDCN-DGCLKSJQSA-N
• XLogP: 2.14
• TPSA: 147.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 163407467) is 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cncc(O[C@@H]2CC[C@@H](N)C2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.

What is the InChIKey of 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is KVLJUYBGNKMDCN-DGCLKSJQSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-28-15-8-22-9-16(29-13-3-2-11(21)4-13)19(15)14-5-17(27-26-14)25-18-10-23-12(6-20)7-24-18/h5,7-11,13H,2-4,21H2,1H3,(H2,24,25,26,27)/t11-,13-/m1/s1.

What are the key properties of 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 392.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[3-[(1R,3R)-3-aminocyclopentyl]oxy-5-methoxy-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 163407467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).