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

C33H38N8O3 — CID 134434854

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-morpholin-4-ylpropanamide (PubChem CID 134434854) has the molecular formula C33H38N8O3 and a molecular weight of 594.72 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]-3-morpholin-4-ylpropanamide.

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]-3-morpholin-4-ylpropanamide
• PubChem CID: 134434854
• Molecular Formula: C33H38N8O3
• Molecular Weight: 594.72 g/mol
• Exact Mass: 594.31
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-morpholin-4-ylpropanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CCN4CCOCC4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C33H38N8O3/c1-2-44-28-19-29(32-26(21-34)23-37-41(32)24-28)25-6-7-30(36-22-25)40-13-9-33(10-14-40,20-27-5-3-4-11-35-27)38-31(42)8-12-39-15-17-43-18-16-39/h3-7,11,19,22-24H,2,8-10,12-18,20H2,1H3,(H,38,42)
• InChIKey: HFOLTLADQXOPSU-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 120.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.72
LogP ≤ 5	3.48
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]-3-morpholin-4-ylpropanamide?

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]-3-morpholin-4-ylpropanamide (CID 134434854) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-morpholin-4-ylpropanamide.

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]-3-morpholin-4-ylpropanamide?

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]-3-morpholin-4-ylpropanamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)CCN4CCOCC4)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]-3-morpholin-4-ylpropanamide?

The InChIKey is HFOLTLADQXOPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O3/c1-2-44-28-19-29(32-26(21-34)23-37-41(32)24-28)25-6-7-30(36-22-25)40-13-9-33(10-14-40,20-27-5-3-4-11-35-27)38-31(42)8-12-39-15-17-43-18-16-39/h3-7,11,19,22-24H,2,8-10,12-18,20H2,1H3,(H,38,42).

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]-3-morpholin-4-ylpropanamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-morpholin-4-ylpropanamide has a molecular weight of 594.72 g/mol, XLogP of 3.48, 10 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]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 134434854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).