azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol

C75H87N15O9Si2 — CID 160753737

About azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol

azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol (PubChem CID 160753737) has the molecular formula C75H87N15O9Si2 and a molecular weight of 1399.80 g/mol. Its IUPAC name is azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol.

Molecular Properties

• Compound Name: azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol
• PubChem CID: 160753737
• Molecular Formula: C75H87N15O9Si2
• Molecular Weight: 1399.80 g/mol
• Exact Mass: 1398.64
• IUPAC Name: azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol
• SMILES: C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CC(O)C4)ccc3c2)nc1.OC1CN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)C1.OC1CNC1.[H][2H]
• InChI: InChI=1S/C27H33N5O3Si.C24H26N4O3Si.C21H19N5O2.C3H7NO.H2/c1-36(2,3)13-12-34-19-32-26(10-11-29-32)21-5-9-27(28-15-21)35-24-7-8-25-20(14-24)4-6-22(30-25)16-31-17-23(33)18-31;1-32(2,3)13-12-30-17-28-23(10-11-26-28)19-5-9-24(25-15-19)31-21-7-8-22-18(14-21)4-6-20(16-29)27-22;27-17-12-26(13-17)11-16-3-1-14-9-18(4-5-19(14)24-16)28-21-6-2-15(10-22-21)20-7-8-23-25-20;5-3-1-4-2-3;/h4-11,14-15,23,33H,12-13,16-19H2,1-3H3;4-11,14-16H,12-13,17H2,1-3H3;1-10,17,27H,11-13H2,(H,23,25);3-5H,1-2H2;1H/i;;;;1+1
• InChIKey: RXDRZXWXBVTCND-RCUQKECRSA-N
• XLogP: 12.37
• TPSA: 284.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.80
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

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;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol?

The IUPAC name of azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol (CID 160753737) is azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol.

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

The canonical SMILES for azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol is C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CC(O)C4)ccc3c2)nc1.OC1CN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)C1.OC1CNC1.[H][2H].

What is the InChIKey of azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol?

The InChIKey is RXDRZXWXBVTCND-RCUQKECRSA-N. The full InChI is InChI=1S/C27H33N5O3Si.C24H26N4O3Si.C21H19N5O2.C3H7NO.H2/c1-36(2,3)13-12-34-19-32-26(10-11-29-32)21-5-9-27(28-15-21)35-24-7-8-25-20(14-24)4-6-22(30-25)16-31-17-23(33)18-31;1-32(2,3)13-12-30-17-28-23(10-11-26-28)19-5-9-24(25-15-19)31-21-7-8-22-18(14-21)4-6-20(16-29)27-22;27-17-12-26(13-17)11-16-3-1-14-9-18(4-5-19(14)24-16)28-21-6-2-15(10-22-21)20-7-8-23-25-20;5-3-1-4-2-3;/h4-11,14-15,23,33H,12-13,16-19H2,1-3H3;4-11,14-16H,12-13,17H2,1-3H3;1-10,17,27H,11-13H2,(H,23,25);3-5H,1-2H2;1H/i;;;;1+1.

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

azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol has a molecular weight of 1399.80 g/mol, XLogP of 12.37, 24 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-3-ol;deuterium monohydride;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]azetidin-3-ol is sourced from PubChem (CID 160753737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).