5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde

C18H25FN4O — CID 171849786

IUPAC5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde
SMILESCN1CC2(CCC(N3CCN(c4ncc(F)cc4C=O)CC3)C2)C1
InChIInChI=1S/C18H25FN4O/c1-21-12-18(13-21)3-2-16(9-18)22-4-6-23(7-5-22)17-14(11-24)8-15(19)10-20-17/h8,10-11,16H,2-7,9,12-13H2,1H3
InChIKeyOWLAWARYFOXDBL-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.64
Rot. Bonds3

About 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde

5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde (PubChem CID 171849786) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde
PubChem CID171849786
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde
SMILESCN1CC2(CCC(N3CCN(c4ncc(F)cc4C=O)CC3)C2)C1
InChIInChI=1S/C18H25FN4O/c1-21-12-18(13-21)3-2-16(9-18)22-4-6-23(7-5-22)17-14(11-24)8-15(19)10-20-17/h8,10-11,16H,2-7,9,12-13H2,1H3
InChIKeyOWLAWARYFOXDBL-UHFFFAOYSA-N
XLogP1.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde?
The IUPAC name of 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde (CID 171849786) is 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde is CN1CC2(CCC(N3CCN(c4ncc(F)cc4C=O)CC3)C2)C1.
What is the InChIKey of 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde?
The InChIKey is OWLAWARYFOXDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-21-12-18(13-21)3-2-16(9-18)22-4-6-23(7-5-22)17-14(11-24)8-15(19)10-20-17/h8,10-11,16H,2-7,9,12-13H2,1H3.
What are the key properties of 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde?
5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde has a molecular weight of 332.42 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 171849786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).