5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C20H21FN8O — CID 170070486

About 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 170070486) has the molecular formula C20H21FN8O and a molecular weight of 408.44 g/mol. Its IUPAC name is 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 170070486
• Molecular Formula: C20H21FN8O
• Molecular Weight: 408.44 g/mol
• Exact Mass: 408.18
• IUPAC Name: 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: CC(F)c1ccc(O[C@@H]2CC[C@H](N)C2)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)n1
• InChI: InChI=1S/C20H21FN8O/c1-11(21)15-4-5-17(30-14-3-2-12(23)6-14)20(26-15)16-7-18(29-28-16)27-19-10-24-13(8-22)9-25-19/h4-5,7,9-12,14H,2-3,6,23H2,1H3,(H2,25,27,28,29)/t11?,12-,14+/m0/s1
• InChIKey: XQHNWLNIRISOLU-VBVNFKHJSA-N
• XLogP: 3.17
• TPSA: 138.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.44
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 170070486) is 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is CC(F)c1ccc(O[C@@H]2CC[C@H](N)C2)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)n1.

What is the InChIKey of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is XQHNWLNIRISOLU-VBVNFKHJSA-N. The full InChI is InChI=1S/C20H21FN8O/c1-11(21)15-4-5-17(30-14-3-2-12(23)6-14)20(26-15)16-7-18(29-28-16)27-19-10-24-13(8-22)9-25-19/h4-5,7,9-12,14H,2-3,6,23H2,1H3,(H2,25,27,28,29)/t11?,12-,14+/m0/s1.

What are the key properties of 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 408.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluoroethyl)-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 170070486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).