2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine

C26H23F2NO — CID 165383630

IUPAC2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3c(C)c(-c4ccc5c(c4)CCC(F)(F)C5)oc23)c1
InChIInChI=1S/C26H23F2NO/c1-15-10-16(2)12-21(11-15)23-25-22(7-9-29-23)17(3)24(30-25)19-4-5-20-14-26(27,28)8-6-18(20)13-19/h4-5,7,9-13H,6,8,14H2,1-3H3
InChIKeyLZSBOQCXWDCTOL-UHFFFAOYSA-N
MW403.47 g/mol
LogP7.21
Rot. Bonds2

About 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine

2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine (PubChem CID 165383630) has the molecular formula C26H23F2NO and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine.

Molecular Properties

Compound Name2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine
PubChem CID165383630
Molecular FormulaC26H23F2NO
Molecular Weight403.47 g/mol
Exact Mass403.17
IUPAC Name2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine
SMILESCc1cc(C)cc(-c2nccc3c(C)c(-c4ccc5c(c4)CCC(F)(F)C5)oc23)c1
InChIInChI=1S/C26H23F2NO/c1-15-10-16(2)12-21(11-15)23-25-22(7-9-29-23)17(3)24(30-25)19-4-5-20-14-26(27,28)8-6-18(20)13-19/h4-5,7,9-13H,6,8,14H2,1-3H3
InChIKeyLZSBOQCXWDCTOL-UHFFFAOYSA-N
XLogP7.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine with MolForge

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Related Compounds

1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline
CID 272358
2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
6-[5-(4-Carbamimidoyl-2-methylphenyl)furan-2-yl]pyridine-3-carboximidamide
CID 44567853
US10087191, Example 90
CID 124148331
N-[2-(2-anthracen-9-yl-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127040022
N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127040355
4-[5-(4-Cyano-3-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736415
4-[5-(2-Fluoro-4-aminocarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736417
4-[5-(4-Cyano-2-fluoro-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736569
4-[5-(4-Benzyloxycarbonyl-phenyl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736570
4-[5-(3-Fluoro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736719
N3-(3-Chloro-4-fluorophenyl)-7-(naphthalen-2-yl)furo[2,3-c]pyridine-2,3-diamine
CID 117704836

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine?
The IUPAC name of 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine (CID 165383630) is 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine.
What is the SMILES notation for 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine?
The canonical SMILES for 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine is Cc1cc(C)cc(-c2nccc3c(C)c(-c4ccc5c(c4)CCC(F)(F)C5)oc23)c1.
What is the InChIKey of 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine?
The InChIKey is LZSBOQCXWDCTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO/c1-15-10-16(2)12-21(11-15)23-25-22(7-9-29-23)17(3)24(30-25)19-4-5-20-14-26(27,28)8-6-18(20)13-19/h4-5,7,9-13H,6,8,14H2,1-3H3.
What are the key properties of 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine?
2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine has a molecular weight of 403.47 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-7,8-dihydro-5H-naphthalen-2-yl)-7-(3,5-dimethylphenyl)-3-methylfuro[2,3-c]pyridine is sourced from PubChem (CID 165383630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).