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

C32H36N8O3 — CID 134497115

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 134497115) has the molecular formula C32H36N8O3 and a molecular weight of 580.69 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide
• PubChem CID: 134497115
• Molecular Formula: C32H36N8O3
• Molecular Weight: 580.69 g/mol
• Exact Mass: 580.29
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C32H36N8O3/c1-2-43-27-17-28(31-25(19-33)21-36-40(31)22-27)24-6-7-29(35-20-24)39-11-8-32(9-12-39,18-26-5-3-4-10-34-26)37-30(41)23-38-13-15-42-16-14-38/h3-7,10,17,20-22H,2,8-9,11-16,18,23H2,1H3,(H,37,41)
• InChIKey: LOUOZVSJXMIHBL-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 120.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.69
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide (CID 134497115) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide.

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

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is LOUOZVSJXMIHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O3/c1-2-43-27-17-28(31-25(19-33)21-36-40(31)22-27)24-6-7-29(35-20-24)39-11-8-32(9-12-39,18-26-5-3-4-10-34-26)37-30(41)23-38-13-15-42-16-14-38/h3-7,10,17,20-22H,2,8-9,11-16,18,23H2,1H3,(H,37,41).

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 580.69 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 134497115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).