3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine

C25H36FN3 — CID 167216968

IUPAC3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
SMILESCC1=C(F)CCC(C2NC=CC=C2C2CCN3C(CNC3C3C=CCCC3)C2)C1
InChIInChI=1S/C25H36FN3/c1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18/h3,5-6,8,12,18-21,24-25,27-28H,2,4,7,9-11,13-16H2,1H3
InChIKeyIVMFOICAAASCPT-UHFFFAOYSA-N
MW397.58 g/mol
LogP4.81
Rot. Bonds3

About 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine

3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine (PubChem CID 167216968) has the molecular formula C25H36FN3 and a molecular weight of 397.58 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
PubChem CID167216968
Molecular FormulaC25H36FN3
Molecular Weight397.58 g/mol
Exact Mass397.29
IUPAC Name3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine
SMILESCC1=C(F)CCC(C2NC=CC=C2C2CCN3C(CNC3C3C=CCCC3)C2)C1
InChIInChI=1S/C25H36FN3/c1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18/h3,5-6,8,12,18-21,24-25,27-28H,2,4,7,9-11,13-16H2,1H3
InChIKeyIVMFOICAAASCPT-UHFFFAOYSA-N
XLogP4.81
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.58
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
The IUPAC name of 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine (CID 167216968) is 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine is CC1=C(F)CCC(C2NC=CC=C2C2CCN3C(CNC3C3C=CCCC3)C2)C1.
What is the InChIKey of 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
The InChIKey is IVMFOICAAASCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3/c1-17-14-20(9-10-23(17)26)24-22(8-5-12-27-24)19-11-13-29-21(15-19)16-28-25(29)18-6-3-2-4-7-18/h3,5-6,8,12,18-21,24-25,27-28H,2,4,7,9-11,13-16H2,1H3.
What are the key properties of 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine?
3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine has a molecular weight of 397.58 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-7-[2-(4-fluoro-3-methylcyclohex-3-en-1-yl)-1,2-dihydropyridin-3-yl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 167216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).