1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one

C21H22FNO2 — CID 142311055

IUPAC1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(C)(C)C)c2o1
InChIInChI=1S/C21H22FNO2/c1-12(2)19(24)18-11-17-20(25-18)15(21(3,4)5)10-16(23-17)13-6-8-14(22)9-7-13/h6-12H,1-5H3
InChIKeyORLHTXZZIVIVPI-UHFFFAOYSA-N
MW339.41 g/mol
LogP5.77
Rot. Bonds3

About 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one

1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one (PubChem CID 142311055) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one
PubChem CID142311055
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(C)(C)C)c2o1
InChIInChI=1S/C21H22FNO2/c1-12(2)19(24)18-11-17-20(25-18)15(21(3,4)5)10-16(23-17)13-6-8-14(22)9-7-13/h6-12H,1-5H3
InChIKeyORLHTXZZIVIVPI-UHFFFAOYSA-N
XLogP5.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.41
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butane;1-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2,2-dimethylpentane
CID 142310936
7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122573980
4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 122573910
1-tert-butyl-4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573970
butane;1-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2,2-dimethylpentan-3-one;1-ethylcyclopentane-1-carboxylic acid
CID 142310740
1-[7-tert-butyl-5-(4-chloro-3-phosphanylphenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;fluoro 5,5-dimethyl-3-propylhexanoate
CID 142311353
7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122574086
7-tert-butyl-5-(4-chloro-3-methylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122573941
butane;1-[7-tert-butyl-5-(3-fluoro-4-methylphenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2,2-dimethylpentane;ethane;formic acid;(3Z,5Z)-2,3,4,6-tetramethylnona-1,3,5-triene
CID 142311002
5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid
CID 122573995
4-[7-tert-butyl-5-(4-methylphenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122574187
4-[7-tert-butyl-5-[4-(trifluoromethyl)phenyl]furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylic acid
CID 122573933

Frequently Asked Questions

What is the IUPAC name of 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one (CID 142311055) is 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(C)(C)C)c2o1.
What is the InChIKey of 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one?
The InChIKey is ORLHTXZZIVIVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c1-12(2)19(24)18-11-17-20(25-18)15(21(3,4)5)10-16(23-17)13-6-8-14(22)9-7-13/h6-12H,1-5H3.
What are the key properties of 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one?
1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one has a molecular weight of 339.41 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 142311055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).