1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one

C₃₂H₃₅N₇O₃ — CID 155922118

About 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one

1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 155922118) has the molecular formula C₃₂H₃₅N₇O₃ and a molecular weight of 565.68 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one
• PubChem CID: 155922118
• Molecular Formula: C₃₂H₃₅N₇O₃
• Molecular Weight: 565.68 g/mol
• Exact Mass: 565.28
• IUPAC Name: 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one
• SMILES: COc1cccc(CN2C(=O)N(c3ccc(C4CNNC4)cc3)CC23CCN(C(=O)c2cnn4ccccc24)CC3)c1
• InChI: InChI=1S/C32H35N7O3/c1-42-27-6-4-5-23(17-27)21-38-31(41)37(26-10-8-24(9-11-26)25-18-33-34-19-25)22-32(38)12-15-36(16-13-32)30(40)28-20-35-39-14-3-2-7-29(28)39/h2-11,14,17,20,25,33-34H,12-13,15-16,18-19,21-22H2,1H3
• InChIKey: YUTKHERVPTXECV-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 94.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.68
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one?

The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 155922118) is 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one is COc1cccc(CN2C(=O)N(c3ccc(C4CNNC4)cc3)CC23CCN(C(=O)c2cnn4ccccc24)CC3)c1.

What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one?

The InChIKey is YUTKHERVPTXECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O3/c1-42-27-6-4-5-23(17-27)21-38-31(41)37(26-10-8-24(9-11-26)25-18-33-34-19-25)22-32(38)12-15-36(16-13-32)30(40)28-20-35-39-14-3-2-7-29(28)39/h2-11,14,17,20,25,33-34H,12-13,15-16,18-19,21-22H2,1H3.

What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one?

1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 565.68 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methoxyphenyl)methyl]-3-(4-pyrazolidin-4-ylphenyl)-8-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155922118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155922118 — identifiers, structure, computed properties (public domain)

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