(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

C₂₆H₂₉FN₄O₃ — CID 155092670

About (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 155092670) has the molecular formula C₂₆H₂₉FN₄O₃ and a molecular weight of 464.54 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 155092670
• Molecular Formula: C₂₆H₂₉FN₄O₃
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.22
• IUPAC Name: (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
• SMILES: COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3)cc1F
• InChI: InChI=1S/C26H29FN4O3/c1-33-23-6-3-18(13-22(23)27)25(32)30-10-7-26(8-11-30)9-12-31(17-26)20-4-5-21(24(14-20)34-2)19-15-28-29-16-19/h3-6,13-16H,7-12,17H2,1-2H3,(H,28,29)
• InChIKey: PBPYUGVFAKZCIM-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 70.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 155092670) is (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is COc1ccc(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4cn[nH]c4)c(OC)c2)C3)cc1F.

What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

The InChIKey is PBPYUGVFAKZCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-33-23-6-3-18(13-22(23)27)25(32)30-10-7-26(8-11-30)9-12-31(17-26)20-4-5-21(24(14-20)34-2)19-15-28-29-16-19/h3-6,13-16H,7-12,17H2,1-2H3,(H,28,29).

What are the key properties of (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?

(3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 464.54 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-4-methoxyphenyl)-[2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 155092670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155092670 — identifiers, structure, computed properties (public domain)

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