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

C33H37N3O5 — CID 130229068

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

6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130229068) has the molecular formula C33H37N3O5 and a molecular weight of 555.68 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 130229068
• Molecular Formula: C33H37N3O5
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.27
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COCc1cccc(-c2ccc(OC3CC4(CC(NC(=O)c5cnn6cc(OCC(C)(C)O)ccc56)C4)C3)cc2)c1
• InChI: InChI=1S/C33H37N3O5/c1-32(2,38)21-40-27-11-12-30-29(18-34-36(30)19-27)31(37)35-25-14-33(15-25)16-28(17-33)41-26-9-7-23(8-10-26)24-6-4-5-22(13-24)20-39-3/h4-13,18-19,25,28,38H,14-17,20-21H2,1-3H3,(H,35,37)
• InChIKey: LJYNOQKIIZGJRD-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 94.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 130229068) is 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is COCc1cccc(-c2ccc(OC3CC4(CC(NC(=O)c5cnn6cc(OCC(C)(C)O)ccc56)C4)C3)cc2)c1.

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

The InChIKey is LJYNOQKIIZGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O5/c1-32(2,38)21-40-27-11-12-30-29(18-34-36(30)19-27)31(37)35-25-14-33(15-25)16-28(17-33)41-26-9-7-23(8-10-26)24-6-4-5-22(13-24)20-39-3/h4-13,18-19,25,28,38H,14-17,20-21H2,1-3H3,(H,35,37).

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

6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 5.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-N-[2-[4-[3-(methoxymethyl)phenyl]phenoxy]spiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130229068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).