azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol

C79H92N12O9Si2 — CID 159017489

About azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol

azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol (PubChem CID 159017489) has the molecular formula C79H92N12O9Si2 and a molecular weight of 1409.85 g/mol. Its IUPAC name is azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol.

Molecular Properties

• Compound Name: azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol
• PubChem CID: 159017489
• Molecular Formula: C79H92N12O9Si2
• Molecular Weight: 1409.85 g/mol
• Exact Mass: 1408.66
• IUPAC Name: azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol
• SMILES: C.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(CN4CC(O)C4)ccc3c2)nc1.OC1CN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1.OC1CNC1
• InChI: InChI=1S/C28H34N4O3Si.C25H27N3O3Si.C22H20N4O2.C3H7NO.CH4/c1-36(2,3)13-12-34-20-32-27(10-11-30-32)24-7-9-28(29-16-24)35-26-8-6-22-14-21(4-5-23(22)15-26)17-31-18-25(33)19-31;1-32(2,3)13-12-30-18-28-24(10-11-27-28)22-7-9-25(26-16-22)31-23-8-6-20-14-19(17-29)4-5-21(20)15-23;27-19-13-26(14-19)12-15-1-2-17-10-20(5-3-16(17)9-15)28-22-6-4-18(11-23-22)21-7-8-24-25-21;5-3-1-4-2-3;/h4-11,14-16,25,33H,12-13,17-20H2,1-3H3;4-11,14-17H,12-13,18H2,1-3H3;1-11,19,27H,12-14H2,(H,24,25);3-5H,1-2H2;1H4
• InChIKey: JTGVBODDLYTSOG-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 245.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.85
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol?

The IUPAC name of azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol (CID 159017489) is azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol.

What is the SMILES notation for azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol?

The canonical SMILES for azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol is C.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(CN4CC(O)C4)ccc3c2)nc1.OC1CN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1.OC1CNC1.

What is the InChIKey of azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol?

The InChIKey is JTGVBODDLYTSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3Si.C25H27N3O3Si.C22H20N4O2.C3H7NO.CH4/c1-36(2,3)13-12-34-20-32-27(10-11-30-32)24-7-9-28(29-16-24)35-26-8-6-22-14-21(4-5-23(22)15-26)17-31-18-25(33)19-31;1-32(2,3)13-12-30-18-28-24(10-11-27-28)22-7-9-25(26-16-22)31-23-8-6-20-14-19(17-29)4-5-21(20)15-23;27-19-13-26(14-19)12-15-1-2-17-10-20(5-3-16(17)9-15)28-22-6-4-18(11-23-22)21-7-8-24-25-21;5-3-1-4-2-3;/h4-11,14-16,25,33H,12-13,17-20H2,1-3H3;4-11,14-17H,12-13,18H2,1-3H3;1-11,19,27H,12-14H2,(H,24,25);3-5H,1-2H2;1H4.

What are the key properties of azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol?

azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol has a molecular weight of 1409.85 g/mol, XLogP of 14.58, 24 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-3-ol;methane;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 159017489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).