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

C34H30FN3O — CID 10239365

IUPAC3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
SMILESFc1ccc(-n2cc(C3CCN(CCc4coc5ccccc45)CC3)c3cc(-c4cccnc4)ccc32)cc1
InChIInChI=1S/C34H30FN3O/c35-28-8-10-29(11-9-28)38-22-32(31-20-25(7-12-33(31)38)26-4-3-16-36-21-26)24-13-17-37(18-14-24)19-15-27-23-39-34-6-2-1-5-30(27)34/h1-12,16,20-24H,13-15,17-19H2
InChIKeySTCXDSKPJZTCSK-UHFFFAOYSA-N
MW515.63 g/mol
LogP8.00
Rot. Bonds6

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

3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole (PubChem CID 10239365) has the molecular formula C34H30FN3O and a molecular weight of 515.63 g/mol. Its IUPAC name is 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole.

Molecular Properties

Compound Name3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
PubChem CID10239365
Molecular FormulaC34H30FN3O
Molecular Weight515.63 g/mol
Exact Mass515.24
IUPAC Name3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole
SMILESFc1ccc(-n2cc(C3CCN(CCc4coc5ccccc45)CC3)c3cc(-c4cccnc4)ccc32)cc1
InChIInChI=1S/C34H30FN3O/c35-28-8-10-29(11-9-28)38-22-32(31-20-25(7-12-33(31)38)26-4-3-16-36-21-26)24-13-17-37(18-14-24)19-15-27-23-39-34-6-2-1-5-30(27)34/h1-12,16,20-24H,13-15,17-19H2
InChIKeySTCXDSKPJZTCSK-UHFFFAOYSA-N
XLogP8.00
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.63
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole?
The IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole (CID 10239365) is 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole.
What is the SMILES notation for 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole?
The canonical SMILES for 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole is Fc1ccc(-n2cc(C3CCN(CCc4coc5ccccc45)CC3)c3cc(-c4cccnc4)ccc32)cc1.
What is the InChIKey of 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole?
The InChIKey is STCXDSKPJZTCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN3O/c35-28-8-10-29(11-9-28)38-22-32(31-20-25(7-12-33(31)38)26-4-3-16-36-21-26)24-13-17-37(18-14-24)19-15-27-23-39-34-6-2-1-5-30(27)34/h1-12,16,20-24H,13-15,17-19H2.
What are the key properties of 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole?
3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole has a molecular weight of 515.63 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-benzofuran-3-yl)ethyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-pyridin-3-ylindole is sourced from PubChem (CID 10239365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).