N-[2-(2-carbamoyl-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C27H32N4O6 — CID 130229562

About N-[2-(2-carbamoyl-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-(2-carbamoyl-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130229562) has the molecular formula C27H32N4O6 and a molecular weight of 508.58 g/mol. Its IUPAC name is N-[2-(2-carbamoyl-4-methoxyphenoxy)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-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 130229562
• Molecular Formula: C27H32N4O6
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.23
• IUPAC Name: N-[2-(2-carbamoyl-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1ccc(OC2CC3(CC(NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)C3)C2)c(C(N)=O)c1
• InChI: InChI=1S/C27H32N4O6/c1-26(2,34)15-36-18-4-6-22-21(13-29-31(22)14-18)25(33)30-16-9-27(10-16)11-19(12-27)37-23-7-5-17(35-3)8-20(23)24(28)32/h4-8,13-14,16,19,34H,9-12,15H2,1-3H3,(H2,28,32)(H,30,33)
• InChIKey: WISAXMXIIDEDSU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 137.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbamoyl-4-methoxyphenoxy)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-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 130229562) is N-[2-(2-carbamoyl-4-methoxyphenoxy)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-4-methoxyphenoxy)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-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc(OC2CC3(CC(NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)C3)C2)c(C(N)=O)c1.

What is the InChIKey of N-[2-(2-carbamoyl-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WISAXMXIIDEDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O6/c1-26(2,34)15-36-18-4-6-22-21(13-29-31(22)14-18)25(33)30-16-9-27(10-16)11-19(12-27)37-23-7-5-17(35-3)8-20(23)24(28)32/h4-8,13-14,16,19,34H,9-12,15H2,1-3H3,(H2,28,32)(H,30,33).

What are the key properties of N-[2-(2-carbamoyl-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[2-(2-carbamoyl-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 2.71, 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-4-methoxyphenoxy)spiro[3.3]heptan-6-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130229562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).