4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C24H23N7O2 — CID 134435368

About 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435368) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134435368
• Molecular Formula: C24H23N7O2
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.19
• IUPAC Name: 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3C[C@H](N)[C@H](Oc4ccccn4)C3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C24H23N7O2/c1-2-32-18-9-19(24-17(10-25)12-29-31(24)13-18)16-6-7-22(28-11-16)30-14-20(26)21(15-30)33-23-5-3-4-8-27-23/h3-9,11-13,20-21H,2,14-15,26H2,1H3/t20-,21+/m0/s1
• InChIKey: MGNACUAPLZMEKZ-LEWJYISDSA-N
• XLogP: 2.66
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435368) is 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3C[C@H](N)[C@H](Oc4ccccn4)C3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is MGNACUAPLZMEKZ-LEWJYISDSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-2-32-18-9-19(24-17(10-25)12-29-31(24)13-18)16-6-7-22(28-11-16)30-14-20(26)21(15-30)33-23-5-3-4-8-27-23/h3-9,11-13,20-21H,2,14-15,26H2,1H3/t20-,21+/m0/s1.

What are the key properties of 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 441.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).