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

C23H26N8O2 — CID 171653656

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

5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171653656) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171653656
• Molecular Formula: C23H26N8O2
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.22
• IUPAC Name: 5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1nc(C2CC2)cc(O[C@H]2CCCC[C@H]2N)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C23H26N8O2/c1-32-23-22(17-9-20(31-30-17)29-21-12-26-14(10-24)11-27-21)19(8-16(28-23)13-6-7-13)33-18-5-3-2-4-15(18)25/h8-9,11-13,15,18H,2-7,25H2,1H3,(H2,27,29,30,31)/t15-,18+/m1/s1
• InChIKey: QVPBQRZYLGNKDN-QAPCUYQASA-N
• XLogP: 3.41
• 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	446.52
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 171653656) is 5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

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

The canonical SMILES for 5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1nc(C2CC2)cc(O[C@H]2CCCC[C@H]2N)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.

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

The InChIKey is QVPBQRZYLGNKDN-QAPCUYQASA-N. The full InChI is InChI=1S/C23H26N8O2/c1-32-23-22(17-9-20(31-30-17)29-21-12-26-14(10-24)11-27-21)19(8-16(28-23)13-6-7-13)33-18-5-3-2-4-15(18)25/h8-9,11-13,15,18H,2-7,25H2,1H3,(H2,27,29,30,31)/t15-,18+/m1/s1.

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

5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 446.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[4-[(1S,2R)-2-aminocyclohexyl]oxy-6-cyclopropyl-2-methoxy-3-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171653656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).