3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde

C17H15N3O2Sn — CID 144697800

IUPAC3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=N[Sn]2
InChIInChI=1S/C17H15N3O2.Sn/c18-17(14-3-1-2-13(10-14)12-21)15-4-5-19-16(11-15)20-6-8-22-9-7-20;/h1-2,4-5,10-12H,6-9H2;/q-1;+1
InChIKeyKBKRPCOSFUKMLC-UHFFFAOYSA-N
MW412.04 g/mol
LogP0.83
Rot. Bonds3

About 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde

3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde (PubChem CID 144697800) has the molecular formula C17H15N3O2Sn and a molecular weight of 412.04 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde
PubChem CID144697800
Molecular FormulaC17H15N3O2Sn
Molecular Weight412.04 g/mol
Exact Mass413.02
IUPAC Name3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=N[Sn]2
InChIInChI=1S/C17H15N3O2.Sn/c18-17(14-3-1-2-13(10-14)12-21)15-4-5-19-16(11-15)20-6-8-22-9-7-20;/h1-2,4-5,10-12H,6-9H2;/q-1;+1
InChIKeyKBKRPCOSFUKMLC-UHFFFAOYSA-N
XLogP0.83
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.04
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
CID 159734349
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 162152446
4-[4-[3-(1-methylimidazol-4-yl)-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl]-2-pyridinyl]morpholine
CID 123986065
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
4-[4-(2-methyl-5-nitroso-3-pyridinyl)-2-pyridinyl]morpholine
CID 168928475
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde?
The IUPAC name of 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde (CID 144697800) is 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde.
What is the SMILES notation for 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde?
The canonical SMILES for 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde is O=Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=N[Sn]2.
What is the InChIKey of 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde?
The InChIKey is KBKRPCOSFUKMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.Sn/c18-17(14-3-1-2-13(10-14)12-21)15-4-5-19-16(11-15)20-6-8-22-9-7-20;/h1-2,4-5,10-12H,6-9H2;/q-1;+1.
What are the key properties of 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde?
3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde has a molecular weight of 412.04 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-4-pyridinyl)-2,1λ2-benzazastannole-5-carbaldehyde is sourced from PubChem (CID 144697800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).