8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine

C24H24FN3 — CID 10177362

IUPAC8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESFc1ccc(-c2[nH]cc(C3=CC4CCCCN4CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H24FN3/c25-20-6-4-18(5-7-20)24-23(17-8-11-26-12-9-17)22(16-27-24)19-10-14-28-13-2-1-3-21(28)15-19/h4-9,11-12,15-16,21,27H,1-3,10,13-14H2
InChIKeyTZPIIYHXOQCLOA-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.52
Rot. Bonds3

About 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine

8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine (PubChem CID 10177362) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine.

Molecular Properties

Compound Name8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine
PubChem CID10177362
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine
SMILESFc1ccc(-c2[nH]cc(C3=CC4CCCCN4CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C24H24FN3/c25-20-6-4-18(5-7-20)24-23(17-8-11-26-12-9-17)22(16-27-24)19-10-14-28-13-2-1-3-21(28)15-19/h4-9,11-12,15-16,21,27H,1-3,10,13-14H2
InChIKeyTZPIIYHXOQCLOA-UHFFFAOYSA-N
XLogP5.52
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The IUPAC name of 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine (CID 10177362) is 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine.
What is the SMILES notation for 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The canonical SMILES for 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine is Fc1ccc(-c2[nH]cc(C3=CC4CCCCN4CC3)c2-c2ccncc2)cc1.
What is the InChIKey of 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
The InChIKey is TZPIIYHXOQCLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3/c25-20-6-4-18(5-7-20)24-23(17-8-11-26-12-9-17)22(16-27-24)19-10-14-28-13-2-1-3-21(28)15-19/h4-9,11-12,15-16,21,27H,1-3,10,13-14H2.
What are the key properties of 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine?
8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine has a molecular weight of 373.48 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-2,3,4,6,7,9a-hexahydro-1H-quinolizine is sourced from PubChem (CID 10177362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).