3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C24H23Cl2N3O4 — CID 123924696

IUPAC3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(Oc1cc(-c2ccc(C3COC4C(O)COC34)nc2)cnc1N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H23Cl2N3O4/c1-12(16-7-15(25)3-4-18(16)26)33-21-6-14(9-29-24(21)27)13-2-5-19(28-8-13)17-10-31-23-20(30)11-32-22(17)23/h2-9,12,17,20,22-23,30H,10-11H2,1H3,(H2,27,29)
InChIKeyKZRDNMMZYNTANX-UHFFFAOYSA-N
MW488.37 g/mol
LogP4.41
Rot. Bonds5

About 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 123924696) has the molecular formula C24H23Cl2N3O4 and a molecular weight of 488.37 g/mol. Its IUPAC name is 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID123924696
Molecular FormulaC24H23Cl2N3O4
Molecular Weight488.37 g/mol
Exact Mass487.11
IUPAC Name3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(Oc1cc(-c2ccc(C3COC4C(O)COC34)nc2)cnc1N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H23Cl2N3O4/c1-12(16-7-15(25)3-4-18(16)26)33-21-6-14(9-29-24(21)27)13-2-5-19(28-8-13)17-10-31-23-20(30)11-32-22(17)23/h2-9,12,17,20,22-23,30H,10-11H2,1H3,(H2,27,29)
InChIKeyKZRDNMMZYNTANX-UHFFFAOYSA-N
XLogP4.41
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 123924696) is 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is CC(Oc1cc(-c2ccc(C3COC4C(O)COC34)nc2)cnc1N)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is KZRDNMMZYNTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4/c1-12(16-7-15(25)3-4-18(16)26)33-21-6-14(9-29-24(21)27)13-2-5-19(28-8-13)17-10-31-23-20(30)11-32-22(17)23/h2-9,12,17,20,22-23,30H,10-11H2,1H3,(H2,27,29).
What are the key properties of 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 488.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-amino-5-[1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 123924696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).