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

C25H23ClF3N3O4 — CID 123857891

IUPAC3-[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
SMILESCC(Oc1cc(-c2ccc(C3COC4C(O)COC34)nc2)cnc1N)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C25H23ClF3N3O4/c1-12(16-7-15(26)3-4-18(16)25(27,28)29)36-21-6-14(9-32-24(21)30)13-2-5-19(31-8-13)17-10-34-23-20(33)11-35-22(17)23/h2-9,12,17,20,22-23,33H,10-11H2,1H3,(H2,30,32)
InChIKeyLIWCIZRXXBVNEQ-UHFFFAOYSA-N
MW521.92 g/mol
LogP4.78
Rot. Bonds5

About 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

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 (PubChem CID 123857891) has the molecular formula C25H23ClF3N3O4 and a molecular weight of 521.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID123857891
Molecular FormulaC25H23ClF3N3O4
Molecular Weight521.92 g/mol
Exact Mass521.13
IUPAC Name3-[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
SMILESCC(Oc1cc(-c2ccc(C3COC4C(O)COC34)nc2)cnc1N)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C25H23ClF3N3O4/c1-12(16-7-15(26)3-4-18(16)25(27,28)29)36-21-6-14(9-32-24(21)30)13-2-5-19(31-8-13)17-10-34-23-20(33)11-35-22(17)23/h2-9,12,17,20,22-23,33H,10-11H2,1H3,(H2,30,32)
InChIKeyLIWCIZRXXBVNEQ-UHFFFAOYSA-N
XLogP4.78
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.92
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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
(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
[4-[6-amino-5-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]phenyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 58886440
4-[6-amino-5-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-methylbenzaldehyde
CID 88602369
5-[5-[6-amino-5-[1-(2,6-dichlorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]piperidin-3-ol
CID 123223195
tert-butyl (2S,6R)-4-[4-[6-amino-5-[1-[2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-methylbenzoyl]-2,6-dimethylpiperazine-1-carboxylate
CID 58837261
5-(5-chloro-2-methoxy-4-piperazin-1-ylphenyl)-3-[1-[5-fluoro-2-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
CID 118639758
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
(3R)-5-[5-[6-amino-5-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-4-methyl-3,4-dihydropyridin-3-yl]-2-pyridinyl]piperidin-3-ol
CID 162595411
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
4-[6-amino-5-[1-[3-fluoro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 21110921

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(Oc1cc(-c2ccc(C3COC4C(O)COC34)nc2)cnc1N)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is LIWCIZRXXBVNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O4/c1-12(16-7-15(26)3-4-18(16)25(27,28)29)36-21-6-14(9-32-24(21)30)13-2-5-19(31-8-13)17-10-34-23-20(33)11-35-22(17)23/h2-9,12,17,20,22-23,33H,10-11H2,1H3,(H2,30,32).
What are the key properties of 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?
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 has a molecular weight of 521.92 g/mol, XLogP of 4.78, 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-[5-chloro-2-(trifluoromethyl)phenyl]ethoxy]-3-pyridinyl]-2-pyridinyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 123857891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).