2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole

C24H22FN3 — CID 44565046

IUPAC2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole
SMILESFc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncc2)cc1
InChIInChI=1S/C24H22FN3/c25-20-4-1-18(2-5-20)24-23(17-9-13-27-14-10-17)21-6-3-19(15-22(21)28-24)16-7-11-26-12-8-16/h1-6,9-10,13-16,26,28H,7-8,11-12H2
InChIKeyAIXLZYVZYBHMSA-UHFFFAOYSA-N
MW371.46 g/mol
LogP5.50
Rot. Bonds3

About 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole

2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole (PubChem CID 44565046) has the molecular formula C24H22FN3 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole
PubChem CID44565046
Molecular FormulaC24H22FN3
Molecular Weight371.46 g/mol
Exact Mass371.18
IUPAC Name2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole
SMILESFc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncc2)cc1
InChIInChI=1S/C24H22FN3/c25-20-4-1-18(2-5-20)24-23(17-9-13-27-14-10-17)21-6-3-19(15-22(21)28-24)16-7-11-26-12-8-16/h1-6,9-10,13-16,26,28H,7-8,11-12H2
InChIKeyAIXLZYVZYBHMSA-UHFFFAOYSA-N
XLogP5.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole?
The IUPAC name of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole (CID 44565046) is 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole?
The canonical SMILES for 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole is Fc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole?
The InChIKey is AIXLZYVZYBHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3/c25-20-4-1-18(2-5-20)24-23(17-9-13-27-14-10-17)21-6-3-19(15-22(21)28-24)16-7-11-26-12-8-16/h1-6,9-10,13-16,26,28H,7-8,11-12H2.
What are the key properties of 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole?
2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole has a molecular weight of 371.46 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-piperidin-4-yl-3-pyridin-4-yl-1H-indole is sourced from PubChem (CID 44565046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).