5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

C20H22FNO2 — CID 22767459

IUPAC5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESCOc1ccc2c(c1OC)C(c1cccc(F)c1)C1CCCNC21
InChIInChI=1S/C20H22FNO2/c1-23-16-9-8-15-18(20(16)24-2)17(12-5-3-6-13(21)11-12)14-7-4-10-22-19(14)15/h3,5-6,8-9,11,14,17,19,22H,4,7,10H2,1-2H3
InChIKeyVSAUMMYJXVMIRJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.03
Rot. Bonds3

About 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine

5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (PubChem CID 22767459) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
PubChem CID22767459
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
SMILESCOc1ccc2c(c1OC)C(c1cccc(F)c1)C1CCCNC21
InChIInChI=1S/C20H22FNO2/c1-23-16-9-8-15-18(20(16)24-2)17(12-5-3-6-13(21)11-12)14-7-4-10-22-19(14)15/h3,5-6,8-9,11,14,17,19,22H,4,7,10H2,1-2H3
InChIKeyVSAUMMYJXVMIRJ-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The IUPAC name of 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine (CID 22767459) is 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine.
What is the SMILES notation for 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The canonical SMILES for 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is COc1ccc2c(c1OC)C(c1cccc(F)c1)C1CCCNC21.
What is the InChIKey of 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
The InChIKey is VSAUMMYJXVMIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-23-16-9-8-15-18(20(16)24-2)17(12-5-3-6-13(21)11-12)14-7-4-10-22-19(14)15/h3,5-6,8-9,11,14,17,19,22H,4,7,10H2,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine?
5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine has a molecular weight of 327.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-6,7-dimethoxy-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine is sourced from PubChem (CID 22767459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).