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

C33H37ClN8O4 — CID 134436064

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

3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134436064) has the molecular formula C33H37ClN8O4 and a molecular weight of 645.16 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 134436064
• Molecular Formula: C33H37ClN8O4
• Molecular Weight: 645.16 g/mol
• Exact Mass: 644.26
• IUPAC Name: 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(COCCN4CCOCC4)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C33H37ClN8O4/c1-2-46-26-18-27(31-25(19-35)21-38-42(31)22-26)24-5-6-29(37-20-24)41-10-7-33(8-11-41,23-45-17-14-40-12-15-44-16-13-40)39-32(43)30-28(34)4-3-9-36-30/h3-6,9,18,20-22H,2,7-8,10-17,23H2,1H3,(H,39,43)
• InChIKey: SUEYGRGLFVJKEN-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 130.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.16
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide (CID 134436064) is 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide.

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

The canonical SMILES for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(COCCN4CCOCC4)(NC(=O)c4ncccc4Cl)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is SUEYGRGLFVJKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN8O4/c1-2-46-26-18-27(31-25(19-35)21-38-42(31)22-26)24-5-6-29(37-20-24)41-10-7-33(8-11-41,23-45-17-14-40-12-15-44-16-13-40)39-32(43)30-28(34)4-3-9-36-30/h3-6,9,18,20-22H,2,7-8,10-17,23H2,1H3,(H,39,43).

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

3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 645.16 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134436064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).