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

C24H23Cl2N3O4 — CID 144803992

IUPAC(3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESC[C@@H](Oc1cc(-c2ccc([C@H]3COC4C3OC[C@H]4O)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)/t12-,17-,20-,22?,23?/m1/s1
InChIKeyKZRDNMMZYNTANX-QWEUBQEESA-N
MW488.37 g/mol
LogP4.41
Rot. Bonds5

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

(3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 144803992) has the molecular formula C24H23Cl2N3O4 and a molecular weight of 488.37 g/mol. Its IUPAC name is (3S,6R)-3-[5-[6-amino-5-[(1R)-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 Name(3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID144803992
Molecular FormulaC24H23Cl2N3O4
Molecular Weight488.37 g/mol
Exact Mass487.11
IUPAC Name(3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESC[C@@H](Oc1cc(-c2ccc([C@H]3COC4C3OC[C@H]4O)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)/t12-,17-,20-,22?,23?/m1/s1
InChIKeyKZRDNMMZYNTANX-QWEUBQEESA-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 (3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 123857891
5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
CID 123223195
5-(6-bromo-3-pyridinyl)-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 59599434
2-[1-[(2-amino-5-phenyl-3-pyridinyl)oxy]ethyl]-3-chloro-6-fluorophenol
CID 143190350
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-amine
CID 146185139
4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]oxan-3-ol
CID 71727717
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperidin-1-yl-3-pyridinyl)pyridin-2-amine
CID 163938106
[1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]methanol
CID 58688137

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3-[5-[6-amino-5-[(1R)-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 (3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 144803992) is (3S,6R)-3-[5-[6-amino-5-[(1R)-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 (3S,6R)-3-[5-[6-amino-5-[(1R)-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 (3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is C[C@@H](Oc1cc(-c2ccc([C@H]3COC4C3OC[C@H]4O)nc2)cnc1N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (3S,6R)-3-[5-[6-amino-5-[(1R)-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-QWEUBQEESA-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)/t12-,17-,20-,22?,23?/m1/s1.
What are the key properties of (3S,6R)-3-[5-[6-amino-5-[(1R)-1-(2,5-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3S,6R)-3-[5-[6-amino-5-[(1R)-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 (3S,6R)-3-[5-[6-amino-5-[(1R)-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 144803992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).