7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine

C32H30F3NO — CID 170660650

IUPAC7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
SMILES[2H]c1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C32H30F3NO/c1-30(2,3)26-17-24(16-22-8-6-7-9-25(22)26)28-29-23(14-15-36-28)18-27(37-29)21-12-10-20(11-13-21)19-31(4,5)32(33,34)35/h6-18H,19H2,1-5H3/i18D
InChIKeyGCELEGPLOVAUKK-VAAKKRCDSA-N
MW502.60 g/mol
LogP9.74
Rot. Bonds4

About 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine (PubChem CID 170660650) has the molecular formula C32H30F3NO and a molecular weight of 502.60 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
PubChem CID170660650
Molecular FormulaC32H30F3NO
Molecular Weight502.60 g/mol
Exact Mass502.23
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
SMILES[2H]c1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12
InChIInChI=1S/C32H30F3NO/c1-30(2,3)26-17-24(16-22-8-6-7-9-25(22)26)28-29-23(14-15-36-28)18-27(37-29)21-12-10-20(11-13-21)19-31(4,5)32(33,34)35/h6-18H,19H2,1-5H3/i18D
InChIKeyGCELEGPLOVAUKK-VAAKKRCDSA-N
XLogP9.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660561
7-(4-tert-butylnaphthalen-2-yl)-4-methyl-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
CID 170660578
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-5-yl)furo[2,3-c]pyridine
CID 171718016
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676
7-(4-tert-butylnaphthalen-2-yl)-5-deuterio-3-methyl-2-[4-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]phenyl]thieno[2,3-c]pyridine
CID 164932068
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[3,2-c]pyridin-6-ylfuro[2,3-c]pyridine
CID 171718587
2-[2-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-7-(4-pentan-3-ylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 170660657
7-(4-tert-butylnaphthalen-2-yl)-2-(2-methyl-1-benzofuran-3-yl)furo[2,3-c]pyridine
CID 171718045
7-(4-tert-butylnaphthalen-2-yl)-2-(3-methyl-1-benzofuran-2-yl)furo[2,3-c]pyridine
CID 170660593
2-(1-benzothiophen-3-yl)-7-(4-tert-butylnaphthalen-2-yl)furo[2,3-c]pyridine
CID 171717908
dimethyl-[3-methyl-7-(4-propan-2-ylnaphthalen-2-yl)furo[2,3-c]pyridin-2-yl]-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]silane
CID 170660375
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylfuro[2,3-c]pyridine
CID 171717900

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine (CID 170660650) is 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine is [2H]c1c(-c2ccc(CC(C)(C)C(F)(F)F)cc2)oc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc12.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The InChIKey is GCELEGPLOVAUKK-VAAKKRCDSA-N. The full InChI is InChI=1S/C32H30F3NO/c1-30(2,3)26-17-24(16-22-8-6-7-9-25(22)26)28-29-23(14-15-36-28)18-27(37-29)21-12-10-20(11-13-21)19-31(4,5)32(33,34)35/h6-18H,19H2,1-5H3/i18D.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine has a molecular weight of 502.60 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-3-deuterio-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine is sourced from PubChem (CID 170660650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).