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

C31H28F3NO — CID 170660561

IUPAC3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-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)c4ccccc4c3)nccc12
InChIInChI=1S/C31H28F3NO/c1-19(2)26-16-24(15-22-7-5-6-8-25(22)26)28-29-23(13-14-35-28)17-27(36-29)21-11-9-20(10-12-21)18-30(3,4)31(32,33)34/h5-17,19H,18H2,1-4H3/i17D
InChIKeyZSULFHQVXJWZGE-OKWSDYJOSA-N
MW488.57 g/mol
LogP9.57
Rot. Bonds5

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

3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine (PubChem CID 170660561) has the molecular formula C31H28F3NO and a molecular weight of 488.57 g/mol. Its IUPAC name is 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine
PubChem CID170660561
Molecular FormulaC31H28F3NO
Molecular Weight488.57 g/mol
Exact Mass488.22
IUPAC Name3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-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)c4ccccc4c3)nccc12
InChIInChI=1S/C31H28F3NO/c1-19(2)26-16-24(15-22-7-5-6-8-25(22)26)28-29-23(13-14-35-28)17-27(36-29)21-11-9-20(10-12-21)18-30(3,4)31(32,33)34/h5-17,19H,18H2,1-4H3/i17D
InChIKeyZSULFHQVXJWZGE-OKWSDYJOSA-N
XLogP9.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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)-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
[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
CID 170533908
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-5-(2-methylpropyl)-1-benzofuran-3-yl]furo[2,3-c]pyridine
CID 171718138
7-(4-tert-butylnaphthalen-2-yl)-2-[2-methyl-3-(2-methylpropyl)-1-benzothiophen-5-yl]furo[2,3-c]pyridine
CID 171718551
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-[2-methyl-6-(2-methylpropyl)-1-benzothiophen-3-yl]furo[2,3-c]pyridine
CID 171717652
7-(3,5-dimethylphenyl)-2-phenylfuro[2,3-c]pyridine
CID 153444977
2-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]-3-propan-2-yl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 176835562

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The IUPAC name of 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) is 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine.
What is the SMILES notation for 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The canonical SMILES for 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-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)c4ccccc4c3)nccc12.
What is the InChIKey of 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
The InChIKey is ZSULFHQVXJWZGE-OKWSDYJOSA-N. The full InChI is InChI=1S/C31H28F3NO/c1-19(2)26-16-24(15-22-7-5-6-8-25(22)26)28-29-23(13-14-35-28)17-27(36-29)21-11-9-20(10-12-21)18-30(3,4)31(32,33)34/h5-17,19H,18H2,1-4H3/i17D.
What are the key properties of 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine?
3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine has a molecular weight of 488.57 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-7-(4-propan-2-ylnaphthalen-2-yl)-2-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]furo[2,3-c]pyridine is sourced from PubChem (CID 170660561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).