6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C26H20ClF3N2O4 — CID 123438923

IUPAC6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESOC1COC2C(Oc3[nH]c4cc(Cl)c(-c5ccc(-c6ccccc6)cc5)nc4c3C(F)(F)F)COC12
InChIInChI=1S/C26H20ClF3N2O4/c27-16-10-17-22(32-21(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13)20(26(28,29)30)25(31-17)36-19-12-35-23-18(33)11-34-24(19)23/h1-10,18-19,23-24,31,33H,11-12H2
InChIKeyYOEUKRCADPNDLG-UHFFFAOYSA-N
MW516.90 g/mol
LogP5.47
Rot. Bonds4

About 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 123438923) has the molecular formula C26H20ClF3N2O4 and a molecular weight of 516.90 g/mol. Its IUPAC name is 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID123438923
Molecular FormulaC26H20ClF3N2O4
Molecular Weight516.90 g/mol
Exact Mass516.11
IUPAC Name6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESOC1COC2C(Oc3[nH]c4cc(Cl)c(-c5ccc(-c6ccccc6)cc5)nc4c3C(F)(F)F)COC12
InChIInChI=1S/C26H20ClF3N2O4/c27-16-10-17-22(32-21(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13)20(26(28,29)30)25(31-17)36-19-12-35-23-18(33)11-34-24(19)23/h1-10,18-19,23-24,31,33H,11-12H2
InChIKeyYOEUKRCADPNDLG-UHFFFAOYSA-N
XLogP5.47
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.90
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 123438923) is 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is OC1COC2C(Oc3[nH]c4cc(Cl)c(-c5ccc(-c6ccccc6)cc5)nc4c3C(F)(F)F)COC12.
What is the InChIKey of 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is YOEUKRCADPNDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N2O4/c27-16-10-17-22(32-21(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13)20(26(28,29)30)25(31-17)36-19-12-35-23-18(33)11-34-24(19)23/h1-10,18-19,23-24,31,33H,11-12H2.
What are the key properties of 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 516.90 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-chloro-5-(4-phenylphenyl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 123438923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).