3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole

C25H27FN4 — CID 57303088

IUPAC3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole
SMILESCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nccn4C)cc23)CC1
InChIInChI=1S/C25H27FN4/c1-3-29-13-10-18(11-14-29)23-17-30(21-7-5-20(26)6-8-21)24-9-4-19(16-22(23)24)25-27-12-15-28(25)2/h4-9,12,15-18H,3,10-11,13-14H2,1-2H3
InChIKeyYDUAMSHJVWOJBK-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.37
Rot. Bonds4

About 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole

3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole (PubChem CID 57303088) has the molecular formula C25H27FN4 and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole
PubChem CID57303088
Molecular FormulaC25H27FN4
Molecular Weight402.52 g/mol
Exact Mass402.22
IUPAC Name3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole
SMILESCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nccn4C)cc23)CC1
InChIInChI=1S/C25H27FN4/c1-3-29-13-10-18(11-14-29)23-17-30(21-7-5-20(26)6-8-21)24-9-4-19(16-22(23)24)25-27-12-15-28(25)2/h4-9,12,15-18H,3,10-11,13-14H2,1-2H3
InChIKeyYDUAMSHJVWOJBK-UHFFFAOYSA-N
XLogP5.37
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole (CID 57303088) is 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole is CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4nccn4C)cc23)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole?
The InChIKey is YDUAMSHJVWOJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4/c1-3-29-13-10-18(11-14-29)23-17-30(21-7-5-20(26)6-8-21)24-9-4-19(16-22(23)24)25-27-12-15-28(25)2/h4-9,12,15-18H,3,10-11,13-14H2,1-2H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole?
3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole has a molecular weight of 402.52 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole is sourced from PubChem (CID 57303088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).