N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide

C27H35N3O2 — CID 145402213

IUPACN-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
SMILESO=C(NC1CCCC1)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2
InChIInChI=1S/C27H35N3O2/c31-24(16-22-20-8-3-4-9-21(20)23-17-28-18-30(22)23)26-10-5-11-27(14-12-26,15-13-26)25(32)29-19-6-1-2-7-19/h3-4,8-9,17-19,22,24,31H,1-2,5-7,10-16H2,(H,29,32)
InChIKeyOYFKZCXUDHZSGV-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.99
Rot. Bonds5

About N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide

N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide (PubChem CID 145402213) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
PubChem CID145402213
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
SMILESO=C(NC1CCCC1)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2
InChIInChI=1S/C27H35N3O2/c31-24(16-22-20-8-3-4-9-21(20)23-17-28-18-30(22)23)26-10-5-11-27(14-12-26,15-13-26)25(32)29-19-6-1-2-7-19/h3-4,8-9,17-19,22,24,31H,1-2,5-7,10-16H2,(H,29,32)
InChIKeyOYFKZCXUDHZSGV-UHFFFAOYSA-N
XLogP4.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid
CID 145402383
5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
CID 145402215
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-methylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402398
N-benzyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 145402393
N-[4-hydroxy-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]benzamide
CID 118639298
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402295
N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 77141528
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyrazin-2-ylmethyl)bicyclo[3.2.2]nonane-1-carboxamide
CID 145402176
1-cyclopropyl-3-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-bicyclo[2.2.2]octanyl]urea
CID 163682818
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 145402479
benzyl N-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]carbamate
CID 118931223
N-[(4-fluorophenyl)methyl]-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402270

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?
The IUPAC name of N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide (CID 145402213) is N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide is O=C(NC1CCCC1)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2.
What is the InChIKey of N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?
The InChIKey is OYFKZCXUDHZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c31-24(16-22-20-8-3-4-9-21(20)23-17-28-18-30(22)23)26-10-5-11-27(14-12-26,15-13-26)25(32)29-19-6-1-2-7-19/h3-4,8-9,17-19,22,24,31H,1-2,5-7,10-16H2,(H,29,32).
What are the key properties of N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?
N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide is sourced from PubChem (CID 145402213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).