N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C31H32FN5O5 — CID 130230238

About N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130230238) has the molecular formula C31H32FN5O5 and a molecular weight of 573.63 g/mol. Its IUPAC name is N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 130230238
• Molecular Formula: C31H32FN5O5
• Molecular Weight: 573.63 g/mol
• Exact Mass: 573.24
• IUPAC Name: N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(-c5cccc(F)n5)ccc3C(N)=O)C4)cnn2c1
• InChI: InChI=1S/C31H32FN5O5/c1-30(2,40)17-41-20-7-9-25-23(15-34-37(25)16-20)29(39)35-19-11-31(12-19)13-21(14-31)42-26-10-18(6-8-22(26)28(33)38)24-4-3-5-27(32)36-24/h3-10,15-16,19,21,40H,11-14,17H2,1-2H3,(H2,33,38)(H,35,39)
• InChIKey: CLZXSTXECGYSMZ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 141.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.63
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 130230238) is N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3cc(-c5cccc(F)n5)ccc3C(N)=O)C4)cnn2c1.

What is the InChIKey of N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is CLZXSTXECGYSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O5/c1-30(2,40)17-41-20-7-9-25-23(15-34-37(25)16-20)29(39)35-19-11-31(12-19)13-21(14-31)42-26-10-18(6-8-22(26)28(33)38)24-4-3-5-27(32)36-24/h3-10,15-16,19,21,40H,11-14,17H2,1-2H3,(H2,33,38)(H,35,39).

What are the key properties of N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 573.63 g/mol, XLogP of 3.90, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-carbamoyl-5-(6-fluoro-2-pyridinyl)phenoxy]spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130230238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).