6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol

C33H50N4O5 — CID 123423812

About 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol

6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123423812) has the molecular formula C33H50N4O5 and a molecular weight of 582.79 g/mol. Its IUPAC name is 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 123423812
• Molecular Formula: C33H50N4O5
• Molecular Weight: 582.79 g/mol
• Exact Mass: 582.38
• IUPAC Name: 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
• SMILES: Cc1cc(C=CCCN2CCCC3(CCNCC3)C2)ccc1Cc1c(OC2CC(O)C(O)C(CO)O2)n[nH]c1C(C)C
• InChI: InChI=1S/C33H50N4O5/c1-22(2)30-26(32(36-35-30)42-29-19-27(39)31(40)28(20-38)41-29)18-25-9-8-24(17-23(25)3)7-4-5-15-37-16-6-10-33(21-37)11-13-34-14-12-33/h4,7-9,17,22,27-29,31,34,38-40H,5-6,10-16,18-21H2,1-3H3,(H,35,36)
• InChIKey: CFDAOVUFVDFJBR-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 123.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.79
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol (CID 123423812) is 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol is Cc1cc(C=CCCN2CCCC3(CCNCC3)C2)ccc1Cc1c(OC2CC(O)C(O)C(CO)O2)n[nH]c1C(C)C.

What is the InChIKey of 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is CFDAOVUFVDFJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N4O5/c1-22(2)30-26(32(36-35-30)42-29-19-27(39)31(40)28(20-38)41-29)18-25-9-8-24(17-23(25)3)7-4-5-15-37-16-6-10-33(21-37)11-13-34-14-12-33/h4,7-9,17,22,27-29,31,34,38-40H,5-6,10-16,18-21H2,1-3H3,(H,35,36).

What are the key properties of 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?

6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 582.79 g/mol, XLogP of 3.51, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[[4-[4-(2,9-diazaspiro[5.5]undecan-2-yl)but-1-enyl]-2-methylphenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123423812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).