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

C29H35N3O5 — CID 137406313

About 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137406313) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 137406313
• Molecular Formula: C29H35N3O5
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.26
• IUPAC Name: 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1ccc(OC2CC3(CC(NC(=O)c4cnn5c(C6CC6)c(OCC(C)(C)O)ccc45)C3)C2)cc1
• InChI: InChI=1S/C29H35N3O5/c1-28(2,34)17-36-25-11-10-24-23(16-30-32(24)26(25)18-4-5-18)27(33)31-19-12-29(13-19)14-22(15-29)37-21-8-6-20(35-3)7-9-21/h6-11,16,18-19,22,34H,4-5,12-15,17H2,1-3H3,(H,31,33)
• InChIKey: XZXGJZKCAGVFFF-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 94.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 137406313) is 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc(OC2CC3(CC(NC(=O)c4cnn5c(C6CC6)c(OCC(C)(C)O)ccc45)C3)C2)cc1.

What is the InChIKey of 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is XZXGJZKCAGVFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-28(2,34)17-36-25-11-10-24-23(16-30-32(24)26(25)18-4-5-18)27(33)31-19-12-29(13-19)14-22(15-29)37-21-8-6-20(35-3)7-9-21/h6-11,16,18-19,22,34H,4-5,12-15,17H2,1-3H3,(H,31,33).

What are the key properties of 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)-N-[2-(4-methoxyphenoxy)spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137406313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).