4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine

C21H18N4OSn — CID 144697887

IUPAC4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine
SMILESc1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=N[Sn]3)ccn1
InChIInChI=1S/C21H18N4O.Sn/c22-21(18-3-1-2-17(14-18)16-4-7-23-8-5-16)19-6-9-24-20(15-19)25-10-12-26-13-11-25;/h1-2,4-9,14-15H,10-13H2;/q-1;+1
InChIKeyFKPSADKKMCYQLV-UHFFFAOYSA-N
MW461.11 g/mol
LogP2.08
Rot. Bonds3

About 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine

4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine (PubChem CID 144697887) has the molecular formula C21H18N4OSn and a molecular weight of 461.11 g/mol. Its IUPAC name is 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine
PubChem CID144697887
Molecular FormulaC21H18N4OSn
Molecular Weight461.11 g/mol
Exact Mass462.05
IUPAC Name4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine
SMILESc1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=N[Sn]3)ccn1
InChIInChI=1S/C21H18N4O.Sn/c22-21(18-3-1-2-17(14-18)16-4-7-23-8-5-16)19-6-9-24-20(15-19)25-10-12-26-13-11-25;/h1-2,4-9,14-15H,10-13H2;/q-1;+1
InChIKeyFKPSADKKMCYQLV-UHFFFAOYSA-N
XLogP2.08
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.11
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine with MolForge

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Related Compounds

5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
4-Methyl-6-[2-(5-Morpholin-4-Ylpyridin-3-Yl)ethyl]pyridin-2-Amine
CID 119081686
6-{2-[6-(Morpholin-4-yl)pyridin-3-yl]ethynyl}-5-(3-phenylpropyl)pyrimidin-4-amine
CID 10883874
5-Benzyl-6-{2-[6-(morpholin-4-yl)pyridin-3-yl]ethynyl}pyrimidin-4-amine
CID 10959648
2-Morpholino-4-phenylnicotinonitrile
CID 1487460
4-(4-Fluorophenyl)-2-morpholinonicotinonitrile
CID 1488775
Z-1-Phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one OEthyloxime
CID 11151919
(Z)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)propan-1-one O-methyloxime
CID 11151920
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-isopropyloxime
CID 11175610
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-propyloxime
CID 11198974
(E)-1-(3,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one O-methyloxime
CID 11221906

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine (CID 144697887) is 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine is c1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=N[Sn]3)ccn1.
What is the InChIKey of 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is FKPSADKKMCYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O.Sn/c22-21(18-3-1-2-17(14-18)16-4-7-23-8-5-16)19-6-9-24-20(15-19)25-10-12-26-13-11-25;/h1-2,4-9,14-15H,10-13H2;/q-1;+1.
What are the key properties of 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 461.11 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-pyridin-4-yl-2,1λ2-benzazastannol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 144697887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).