1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol

C26H30FNO2 — CID 143753136

IUPAC1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol
SMILESCO.O=CC1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C25H26FNO.CH4O/c26-22-8-7-19-12-20-5-1-2-6-24(20)25(14-21(19)13-22)10-9-23(15-25)27-11-3-4-18(16-27)17-28;1-2/h1-2,4-8,13,17,23H,3,9-12,14-16H2;2H,1H3
InChIKeyHWSYKKDBWVWZQO-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.20
Rot. Bonds2

About 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol

1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol (PubChem CID 143753136) has the molecular formula C26H30FNO2 and a molecular weight of 407.53 g/mol. Its IUPAC name is 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol.

Molecular Properties

Compound Name1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol
PubChem CID143753136
Molecular FormulaC26H30FNO2
Molecular Weight407.53 g/mol
Exact Mass407.23
IUPAC Name1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol
SMILESCO.O=CC1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1
InChIInChI=1S/C25H26FNO.CH4O/c26-22-8-7-19-12-20-5-1-2-6-24(20)25(14-21(19)13-22)10-9-23(15-25)27-11-3-4-18(16-27)17-28;1-2/h1-2,4-8,13,17,23H,3,9-12,14-16H2;2H,1H3
InChIKeyHWSYKKDBWVWZQO-UHFFFAOYSA-N
XLogP4.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol?
The IUPAC name of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol (CID 143753136) is 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol.
What is the SMILES notation for 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol?
The canonical SMILES for 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol is CO.O=CC1=CCCN(C2CCC3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1.
What is the InChIKey of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol?
The InChIKey is HWSYKKDBWVWZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO.CH4O/c26-22-8-7-19-12-20-5-1-2-6-24(20)25(14-21(19)13-22)10-9-23(15-25)27-11-3-4-18(16-27)17-28;1-2/h1-2,4-8,13,17,23H,3,9-12,14-16H2;2H,1H3.
What are the key properties of 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol?
1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol has a molecular weight of 407.53 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carbaldehyde;methanol is sourced from PubChem (CID 143753136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).