7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one

C23H21NO2 — CID 59881547

IUPAC7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one
SMILESCc1ccc(C2(c3ccc(C)cc3C)OC(=O)c3cccnc32)c(C)c1
InChIInChI=1S/C23H21NO2/c1-14-7-9-19(16(3)12-14)23(20-10-8-15(2)13-17(20)4)21-18(22(25)26-23)6-5-11-24-21/h5-13H,1-4H3
InChIKeyVPBNNXZZFOVTTG-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.78
Rot. Bonds2

About 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one

7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one (PubChem CID 59881547) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one
PubChem CID59881547
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one
SMILESCc1ccc(C2(c3ccc(C)cc3C)OC(=O)c3cccnc32)c(C)c1
InChIInChI=1S/C23H21NO2/c1-14-7-9-19(16(3)12-14)23(20-10-8-15(2)13-17(20)4)21-18(22(25)26-23)6-5-11-24-21/h5-13H,1-4H3
InChIKeyVPBNNXZZFOVTTG-UHFFFAOYSA-N
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-bis[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 139790074
3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one
CID 20789925
7-(2,4-dimethylphenyl)-7-(2-methyl-1-pentylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 59881545
7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 139834048
7-[4-(diethylamino)-2-methylphenyl]-7-[4-[ethyl(oxolan-2-ylmethyl)amino]phenyl]furo[3,4-b]pyridin-5-one
CID 139802330
7-(1-benzyl-2-methylindol-3-yl)-7-[4-(diethylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 18998069
7,7-bis(1,2-dimethylindol-3-yl)furo[3,4-b]pyridin-5-one
CID 139843545
3,3-bis[4-(diethylamino)-2-ethylsulfanylphenyl]-2-benzofuran-1-one;7,7-bis[4-(diethylamino)-2-ethylsulfanylphenyl]furo[3,4-b]pyridin-5-one;3-[4-(diethylamino)-2-ethylsulfanylphenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 161087382
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(diethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642782
7,7-bis[4-(dibutylamino)-2-methylphenyl]-3-ethylfuro[3,4-b]pyridin-5-one
CID 139611997
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(dimethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642804
3,3,5-trimethyl-2-benzofuran-1-one
CID 851072

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one?
The IUPAC name of 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one (CID 59881547) is 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one?
The canonical SMILES for 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one is Cc1ccc(C2(c3ccc(C)cc3C)OC(=O)c3cccnc32)c(C)c1.
What is the InChIKey of 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one?
The InChIKey is VPBNNXZZFOVTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-14-7-9-19(16(3)12-14)23(20-10-8-15(2)13-17(20)4)21-18(22(25)26-23)6-5-11-24-21/h5-13H,1-4H3.
What are the key properties of 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one?
7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one has a molecular weight of 343.43 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 59881547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).