5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine

C26H29FN2 — CID 156815312

IUPAC5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine
SMILESCc1cc(-c2ccccc2C(C)C)ccc1C1CCN(Cc2ccc(F)cn2)C1
InChIInChI=1S/C26H29FN2/c1-18(2)24-6-4-5-7-26(24)20-8-11-25(19(3)14-20)21-12-13-29(16-21)17-23-10-9-22(27)15-28-23/h4-11,14-15,18,21H,12-13,16-17H2,1-3H3
InChIKeyVMLVWOVBBHJXTP-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.31
Rot. Bonds5

About 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine

5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 156815312) has the molecular formula C26H29FN2 and a molecular weight of 388.53 g/mol. Its IUPAC name is 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID156815312
Molecular FormulaC26H29FN2
Molecular Weight388.53 g/mol
Exact Mass388.23
IUPAC Name5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine
SMILESCc1cc(-c2ccccc2C(C)C)ccc1C1CCN(Cc2ccc(F)cn2)C1
InChIInChI=1S/C26H29FN2/c1-18(2)24-6-4-5-7-26(24)20-8-11-25(19(3)14-20)21-12-13-29(16-21)17-23-10-9-22(27)15-28-23/h4-11,14-15,18,21H,12-13,16-17H2,1-3H3
InChIKeyVMLVWOVBBHJXTP-UHFFFAOYSA-N
XLogP6.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine (CID 156815312) is 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine is Cc1cc(-c2ccccc2C(C)C)ccc1C1CCN(Cc2ccc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is VMLVWOVBBHJXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2/c1-18(2)24-6-4-5-7-26(24)20-8-11-25(19(3)14-20)21-12-13-29(16-21)17-23-10-9-22(27)15-28-23/h4-11,14-15,18,21H,12-13,16-17H2,1-3H3.
What are the key properties of 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine?
5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 388.53 g/mol, XLogP of 6.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[3-[2-methyl-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 156815312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).