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

C23H25N5O2 — CID 70914358

IUPAC1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone
SMILESO=C(Cc1cncnc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C23H25N5O2/c29-22(10-20-18-3-1-2-4-19(18)21-13-26-15-28(20)21)17-5-7-27(8-6-17)23(30)9-16-11-24-14-25-12-16/h1-4,11-15,17,20,22,29H,5-10H2
InChIKeyDUECNPBMYIFWGD-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.48
Rot. Bonds5

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

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone (PubChem CID 70914358) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone
PubChem CID70914358
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone
SMILESO=C(Cc1cncnc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C23H25N5O2/c29-22(10-20-18-3-1-2-4-19(18)21-13-26-15-28(20)21)17-5-7-27(8-6-17)23(30)9-16-11-24-14-25-12-16/h1-4,11-15,17,20,22,29H,5-10H2
InChIKeyDUECNPBMYIFWGD-UHFFFAOYSA-N
XLogP2.48
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-pyrimidin-5-ylethanone?
The IUPAC name of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone (CID 70914358) is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-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-pyrimidin-5-ylethanone?
The canonical SMILES for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone is O=C(Cc1cncnc1)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-pyrimidin-5-ylethanone?
The InChIKey is DUECNPBMYIFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22(10-20-18-3-1-2-4-19(18)21-13-26-15-28(20)21)17-5-7-27(8-6-17)23(30)9-16-11-24-14-25-12-16/h1-4,11-15,17,20,22,29H,5-10H2.
What are the key properties of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone?
1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2-pyrimidin-5-ylethanone has a molecular weight of 403.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-pyrimidin-5-ylethanone is sourced from PubChem (CID 70914358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).