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

C32H43N7O4 — CID 134436070

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 134436070) has the molecular formula C32H43N7O4 and a molecular weight of 589.74 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide
• PubChem CID: 134436070
• Molecular Formula: C32H43N7O4
• Molecular Weight: 589.74 g/mol
• Exact Mass: 589.34
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(COCCN4CCOCC4)(NC(=O)CC(C)C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C32H43N7O4/c1-4-43-27-18-28(31-26(19-33)21-35-39(31)22-27)25-5-6-29(34-20-25)38-9-7-32(8-10-38,36-30(40)17-24(2)3)23-42-16-13-37-11-14-41-15-12-37/h5-6,18,20-22,24H,4,7-17,23H2,1-3H3,(H,36,40)
• InChIKey: DRKJEPKCFQUDAV-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 117.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.74
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide (CID 134436070) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide.

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

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide is CCOc1cc(-c2ccc(N3CCC(COCCN4CCOCC4)(NC(=O)CC(C)C)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-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide?

The InChIKey is DRKJEPKCFQUDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O4/c1-4-43-27-18-28(31-26(19-33)21-35-39(31)22-27)25-5-6-29(34-20-25)38-9-7-32(8-10-38,36-30(40)17-24(2)3)23-42-16-13-37-11-14-41-15-12-37/h5-6,18,20-22,24H,4,7-17,23H2,1-3H3,(H,36,40).

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 589.74 g/mol, XLogP of 3.52, 12 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-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 134436070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).