7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine

C30H26F6N2O2 — CID 102408765

IUPAC7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)cc2cc(-c3ccc(-c4cc5cc(C(F)(F)F)nc(C(C)(C)C)c5o4)cc3)oc12
InChIInChI=1S/C30H26F6N2O2/c1-27(2,3)25-23-17(13-21(37-25)29(31,32)33)11-19(39-23)15-7-9-16(10-8-15)20-12-18-14-22(30(34,35)36)38-26(24(18)40-20)28(4,5)6/h7-14H,1-6H3
InChIKeyRYZYOVBJMYEHJH-UHFFFAOYSA-N
MW560.54 g/mol
LogP9.94
Rot. Bonds2

About 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine

7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine (PubChem CID 102408765) has the molecular formula C30H26F6N2O2 and a molecular weight of 560.54 g/mol. Its IUPAC name is 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine
PubChem CID102408765
Molecular FormulaC30H26F6N2O2
Molecular Weight560.54 g/mol
Exact Mass560.19
IUPAC Name7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine
SMILESCC(C)(C)c1nc(C(F)(F)F)cc2cc(-c3ccc(-c4cc5cc(C(F)(F)F)nc(C(C)(C)C)c5o4)cc3)oc12
InChIInChI=1S/C30H26F6N2O2/c1-27(2,3)25-23-17(13-21(37-25)29(31,32)33)11-19(39-23)15-7-9-16(10-8-15)20-12-18-14-22(30(34,35)36)38-26(24(18)40-20)28(4,5)6/h7-14H,1-6H3
InChIKeyRYZYOVBJMYEHJH-UHFFFAOYSA-N
XLogP9.94
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.54
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-Fluoro-4-aminocarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736417
5-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-2-[1-(1-trifluoromethyl-cyclopropylmethyl)-piperidin-4-yl]-furo[2,3-c]pyridine
CID 86694583
[4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol
CID 134805469
4-[2-(Furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]benzamide
CID 118153398
US11572366, Example 6
CID 129137981
6-(1-Benzofuran-2-yl)-2-methoxy-4-phenylpyridine-3-carbonitrile
CID 127030026
6-(1-Benzofuran-2-yl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 127030035
6-(1-Benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 127030596
6-(1-Benzofuran-2-yl)-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 127032686
5-(3,5-Dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-2-methylfuro[2,3-c]pyridine
CID 134807408
[4-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-methylfuro[2,3-c]pyridin-7-yl]phenyl]methanol
CID 134807402
2-Phenyl-5-(trifluoromethyl)furo[3,2-b]pyridine
CID 72771061

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine?
The IUPAC name of 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine (CID 102408765) is 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine.
What is the SMILES notation for 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine?
The canonical SMILES for 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine is CC(C)(C)c1nc(C(F)(F)F)cc2cc(-c3ccc(-c4cc5cc(C(F)(F)F)nc(C(C)(C)C)c5o4)cc3)oc12.
What is the InChIKey of 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine?
The InChIKey is RYZYOVBJMYEHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F6N2O2/c1-27(2,3)25-23-17(13-21(37-25)29(31,32)33)11-19(39-23)15-7-9-16(10-8-15)20-12-18-14-22(30(34,35)36)38-26(24(18)40-20)28(4,5)6/h7-14H,1-6H3.
What are the key properties of 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine?
7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine has a molecular weight of 560.54 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-[4-[7-tert-butyl-5-(trifluoromethyl)furo[2,3-c]pyridin-2-yl]phenyl]-5-(trifluoromethyl)furo[2,3-c]pyridine is sourced from PubChem (CID 102408765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).