3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C19H26FN3O — CID 44555562

IUPAC3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2cc(CCCCCF)c[nH]2)c1
InChIInChI=1S/C19H26FN3O/c1-23-8-6-17(23)14-24-18-10-16(12-21-13-18)19-9-15(11-22-19)5-3-2-4-7-20/h9-13,17,22H,2-8,14H2,1H3/t17-/m0/s1
InChIKeyYJJYQFDEOBUZEE-KRWDZBQOSA-N
MW331.44 g/mol
LogP3.84
Rot. Bonds9

About 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 44555562) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID44555562
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCN1CC[C@H]1COc1cncc(-c2cc(CCCCCF)c[nH]2)c1
InChIInChI=1S/C19H26FN3O/c1-23-8-6-17(23)14-24-18-10-16(12-21-13-18)19-9-15(11-22-19)5-3-2-4-7-20/h9-13,17,22H,2-8,14H2,1H3/t17-/m0/s1
InChIKeyYJJYQFDEOBUZEE-KRWDZBQOSA-N
XLogP3.84
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 44555562) is 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CN1CC[C@H]1COc1cncc(-c2cc(CCCCCF)c[nH]2)c1.
What is the InChIKey of 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is YJJYQFDEOBUZEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-23-8-6-17(23)14-24-18-10-16(12-21-13-18)19-9-15(11-22-19)5-3-2-4-7-20/h9-13,17,22H,2-8,14H2,1H3/t17-/m0/s1.
What are the key properties of 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 331.44 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoropentyl)-1H-pyrrol-2-yl]-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 44555562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).