5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C22H23FN8O2 — CID 171653693

About 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171653693) has the molecular formula C22H23FN8O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171653693
• Molecular Formula: C22H23FN8O2
• Molecular Weight: 450.48 g/mol
• Exact Mass: 450.19
• IUPAC Name: 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1nc(C2(F)CC2)cc(O[C@@H]2CC[C@H](N)C2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C22H23FN8O2/c1-32-21-20(15-7-18(31-30-15)29-19-11-26-13(9-24)10-27-19)16(33-14-3-2-12(25)6-14)8-17(28-21)22(23)4-5-22/h7-8,10-12,14H,2-6,25H2,1H3,(H2,27,29,30,31)/t12-,14+/m0/s1
• InChIKey: BQZZHMMMGFZDTH-GXTWGEPZSA-N
• XLogP: 3.10
• TPSA: 147.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 171653693) is 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1nc(C2(F)CC2)cc(O[C@@H]2CC[C@H](N)C2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.

What is the InChIKey of 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is BQZZHMMMGFZDTH-GXTWGEPZSA-N. The full InChI is InChI=1S/C22H23FN8O2/c1-32-21-20(15-7-18(31-30-15)29-19-11-26-13(9-24)10-27-19)16(33-14-3-2-12(25)6-14)8-17(28-21)22(23)4-5-22/h7-8,10-12,14H,2-6,25H2,1H3,(H2,27,29,30,31)/t12-,14+/m0/s1.

What are the key properties of 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 450.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[4-[(1R,3S)-3-aminocyclopentyl]oxy-6-(1-fluorocyclopropyl)-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171653693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).