1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone

C24H26N4O2 — CID 70914219

IUPAC1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2
InChIKeyADXRHXZIAQWYPA-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.08
Rot. Bonds5

About 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 70914219) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone
PubChem CID70914219
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2
InChIKeyADXRHXZIAQWYPA-UHFFFAOYSA-N
XLogP3.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone (CID 70914219) is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is ADXRHXZIAQWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2.
What are the key properties of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone?
1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 402.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 70914219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).