1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine

C26H26FN — CID 59654337

IUPAC1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cccc(C2=CCN(CCc3ccc4cc5c(cc4c3)CCC5)CC2)c1
InChIInChI=1S/C26H26FN/c27-26-6-2-5-23(18-26)20-10-13-28(14-11-20)12-9-19-7-8-24-16-21-3-1-4-22(21)17-25(24)15-19/h2,5-8,10,15-18H,1,3-4,9,11-14H2
InChIKeyMFQOLUVVUKRSRU-UHFFFAOYSA-N
MW371.50 g/mol
LogP5.80
Rot. Bonds4

About 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine

1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 59654337) has the molecular formula C26H26FN and a molecular weight of 371.50 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID59654337
Molecular FormulaC26H26FN
Molecular Weight371.50 g/mol
Exact Mass371.20
IUPAC Name1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1cccc(C2=CCN(CCc3ccc4cc5c(cc4c3)CCC5)CC2)c1
InChIInChI=1S/C26H26FN/c27-26-6-2-5-23(18-26)20-10-13-28(14-11-20)12-9-19-7-8-24-16-21-3-1-4-22(21)17-25(24)15-19/h2,5-8,10,15-18H,1,3-4,9,11-14H2
InChIKeyMFQOLUVVUKRSRU-UHFFFAOYSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 59654337) is 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine is Fc1cccc(C2=CCN(CCc3ccc4cc5c(cc4c3)CCC5)CC2)c1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MFQOLUVVUKRSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN/c27-26-6-2-5-23(18-26)20-10-13-28(14-11-20)12-9-19-7-8-24-16-21-3-1-4-22(21)17-25(24)15-19/h2,5-8,10,15-18H,1,3-4,9,11-14H2.
What are the key properties of 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 371.50 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-cyclopenta[b]naphthalen-6-yl)ethyl]-4-(3-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 59654337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).