1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole

C25H24FN3 — CID 71508687

IUPAC1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C25H24FN3/c1-28-13-10-18(11-14-28)24-17-29(22-7-5-21(26)6-8-22)25-9-4-19(15-23(24)25)20-3-2-12-27-16-20/h2-9,12,15-18H,10-11,13-14H2,1H3
InChIKeyPBWACSBTKWIXDQ-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.64
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole

1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole (PubChem CID 71508687) has the molecular formula C25H24FN3 and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole
PubChem CID71508687
Molecular FormulaC25H24FN3
Molecular Weight385.49 g/mol
Exact Mass385.20
IUPAC Name1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole
SMILESCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C25H24FN3/c1-28-13-10-18(11-14-28)24-17-29(22-7-5-21(26)6-8-22)25-9-4-19(15-23(24)25)20-3-2-12-27-16-20/h2-9,12,15-18H,10-11,13-14H2,1H3
InChIKeyPBWACSBTKWIXDQ-UHFFFAOYSA-N
XLogP5.64
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole (CID 71508687) is 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole is CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole?
The InChIKey is PBWACSBTKWIXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3/c1-28-13-10-18(11-14-28)24-17-29(22-7-5-21(26)6-8-22)25-9-4-19(15-23(24)25)20-3-2-12-27-16-20/h2-9,12,15-18H,10-11,13-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole?
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole has a molecular weight of 385.49 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-pyridin-3-ylindole is sourced from PubChem (CID 71508687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).