1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole

C33H32FN3O — CID 10128353

IUPAC1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole
SMILESCOc1ccc(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5cccnc5)cc34)CC2)cc1
InChIInChI=1S/C33H32FN3O/c1-38-30-11-4-24(5-12-30)14-18-36-19-15-25(16-20-36)32-23-37(29-9-7-28(34)8-10-29)33-13-6-26(21-31(32)33)27-3-2-17-35-22-27/h2-13,17,21-23,25H,14-16,18-20H2,1H3
InChIKeyKOCWMPAANOAISG-UHFFFAOYSA-N
MW505.64 g/mol
LogP7.26
Rot. Bonds7

About 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole

1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole (PubChem CID 10128353) has the molecular formula C33H32FN3O and a molecular weight of 505.64 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole
PubChem CID10128353
Molecular FormulaC33H32FN3O
Molecular Weight505.64 g/mol
Exact Mass505.25
IUPAC Name1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole
SMILESCOc1ccc(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5cccnc5)cc34)CC2)cc1
InChIInChI=1S/C33H32FN3O/c1-38-30-11-4-24(5-12-30)14-18-36-19-15-25(16-20-36)32-23-37(29-9-7-28(34)8-10-29)33-13-6-26(21-31(32)33)27-3-2-17-35-22-27/h2-13,17,21-23,25H,14-16,18-20H2,1H3
InChIKeyKOCWMPAANOAISG-UHFFFAOYSA-N
XLogP7.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.64
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole (CID 10128353) is 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole is COc1ccc(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5cccnc5)cc34)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole?
The InChIKey is KOCWMPAANOAISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O/c1-38-30-11-4-24(5-12-30)14-18-36-19-15-25(16-20-36)32-23-37(29-9-7-28(34)8-10-29)33-13-6-26(21-31(32)33)27-3-2-17-35-22-27/h2-13,17,21-23,25H,14-16,18-20H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole?
1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole has a molecular weight of 505.64 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-pyridin-3-ylindole is sourced from PubChem (CID 10128353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).