3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide

C28H27ClFN7O3 — CID 134435318

About 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide

3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (PubChem CID 134435318) has the molecular formula C28H27ClFN7O3 and a molecular weight of 564.02 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
• PubChem CID: 134435318
• Molecular Formula: C28H27ClFN7O3
• Molecular Weight: 564.02 g/mol
• Exact Mass: 563.18
• IUPAC Name: 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide
• SMILES: COCCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncc(F)cc4Cl)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C28H27ClFN7O3/c1-28(35-27(38)25-23(29)11-20(30)16-33-25)5-7-36(8-6-28)24-4-3-18(14-32-24)22-12-21(40-10-9-39-2)17-37-26(22)19(13-31)15-34-37/h3-4,11-12,14-17H,5-10H2,1-2H3,(H,35,38)
• InChIKey: GQQPQCFFIGNOFI-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 117.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.02
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?

The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide (CID 134435318) is 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?

The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide is COCCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ncc(F)cc4Cl)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?

The InChIKey is GQQPQCFFIGNOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN7O3/c1-28(35-27(38)25-23(29)11-20(30)16-33-25)5-7-36(8-6-28)24-4-3-18(14-32-24)22-12-21(40-10-9-39-2)17-37-26(22)19(13-31)15-34-37/h3-4,11-12,14-17H,5-10H2,1-2H3,(H,35,38).

What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide?

3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide has a molecular weight of 564.02 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[5-[3-cyano-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 134435318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).