(2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide

C31H36N8O2 — CID 134434853

About (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide

(2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 134434853) has the molecular formula C31H36N8O2 and a molecular weight of 552.68 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide
• PubChem CID: 134434853
• Molecular Formula: C31H36N8O2
• Molecular Weight: 552.68 g/mol
• Exact Mass: 552.30
• IUPAC Name: (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)C(N)C(C)C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C31H36N8O2/c1-4-41-25-15-26(29-23(17-32)19-36-39(29)20-25)22-8-9-27(35-18-22)38-13-10-31(11-14-38,16-24-7-5-6-12-34-24)37-30(40)28(33)21(2)3/h5-9,12,15,18-21,28H,4,10-11,13-14,16,33H2,1-3H3,(H,37,40)
• InChIKey: KZNXVNRJPCMWAH-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 134.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.68
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide?

The IUPAC name of (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide (CID 134434853) is (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide.

What is the SMILES notation for (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide?

The canonical SMILES for (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)C(N)C(C)C)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide?

The InChIKey is KZNXVNRJPCMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O2/c1-4-41-25-15-26(29-23(17-32)19-36-39(29)20-25)22-8-9-27(35-18-22)38-13-10-31(11-14-38,16-24-7-5-6-12-34-24)37-30(40)28(33)21(2)3/h5-9,12,15,18-21,28H,4,10-11,13-14,16,33H2,1-3H3,(H,37,40).

What are the key properties of (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide?

(2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 552.68 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 134434853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).