1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole

C32H33FN4O — CID 10239264

IUPAC1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole
SMILESCOc1ccc(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5nccn5C)cc34)CC2)cc1
InChIInChI=1S/C32H33FN4O/c1-35-20-16-34-32(35)25-5-12-31-29(21-25)30(22-37(31)27-8-6-26(33)7-9-27)24-14-18-36(19-15-24)17-13-23-3-10-28(38-2)11-4-23/h3-12,16,20-22,24H,13-15,17-19H2,1-2H3
InChIKeyUAQNOYRWZDKKAT-UHFFFAOYSA-N
MW508.64 g/mol
LogP6.60
Rot. Bonds7

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

1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole (PubChem CID 10239264) has the molecular formula C32H33FN4O and a molecular weight of 508.64 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole
PubChem CID10239264
Molecular FormulaC32H33FN4O
Molecular Weight508.64 g/mol
Exact Mass508.26
IUPAC Name1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole
SMILESCOc1ccc(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5nccn5C)cc34)CC2)cc1
InChIInChI=1S/C32H33FN4O/c1-35-20-16-34-32(35)25-5-12-31-29(21-25)30(22-37(31)27-8-6-26(33)7-9-27)24-14-18-36(19-15-24)17-13-23-3-10-28(38-2)11-4-23/h3-12,16,20-22,24H,13-15,17-19H2,1-2H3
InChIKeyUAQNOYRWZDKKAT-UHFFFAOYSA-N
XLogP6.60
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(1-methylimidazol-2-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole (CID 10239264) is 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole is COc1ccc(CCN2CCC(c3cn(-c4ccc(F)cc4)c4ccc(-c5nccn5C)cc34)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole?
The InChIKey is UAQNOYRWZDKKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O/c1-35-20-16-34-32(35)25-5-12-31-29(21-25)30(22-37(31)27-8-6-26(33)7-9-27)24-14-18-36(19-15-24)17-13-23-3-10-28(38-2)11-4-23/h3-12,16,20-22,24H,13-15,17-19H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole?
1-(4-fluorophenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(1-methylimidazol-2-yl)indole has a molecular weight of 508.64 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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-(1-methylimidazol-2-yl)indole is sourced from PubChem (CID 10239264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).