1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone

C23H23FN4O2 — CID 148658082

IUPAC1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone
SMILESO=C(COCc1cccc2cnccc12)N1CC2CCC(C1)N2c1ccc(F)cn1
InChIInChI=1S/C23H23FN4O2/c24-18-4-7-22(26-11-18)28-19-5-6-20(28)13-27(12-19)23(29)15-30-14-17-3-1-2-16-10-25-9-8-21(16)17/h1-4,7-11,19-20H,5-6,12-15H2
InChIKeyNNFVEHRZJBPMDN-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.17
Rot. Bonds5

About 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone

1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone (PubChem CID 148658082) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone
PubChem CID148658082
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone
SMILESO=C(COCc1cccc2cnccc12)N1CC2CCC(C1)N2c1ccc(F)cn1
InChIInChI=1S/C23H23FN4O2/c24-18-4-7-22(26-11-18)28-19-5-6-20(28)13-27(12-19)23(29)15-30-14-17-3-1-2-16-10-25-9-8-21(16)17/h1-4,7-11,19-20H,5-6,12-15H2
InChIKeyNNFVEHRZJBPMDN-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

6-[5-[(2-oxo-2-pyrrolidin-1-ylethoxy)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667200
(2S)-3,3,3-trifluoro-1-[(3S)-3-(3-fluoropropoxymethyl)-4-isoquinolin-1-ylpiperazin-1-yl]-2-methoxy-2-phenylpropan-1-one
CID 25101094
N-[(5S)-3-[3-fluoro-4-[6-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91332499
1-[4-[5-(2-Fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 141044305
1-[8-(5-Fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(quinolin-5-ylmethoxy)ethanone
CID 147627458
6-[3-[2-[1-(3,4-Difluorophenyl)cyclopropyl]oxyacetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156251990
6-[3-[2-[(1S)-1-(3,4-difluorophenyl)ethoxy]acetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156263936
6-[3-[2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy]acetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156263941
6-[3-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)oxy]acetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156263942
6-[(6S)-3-[2-(2,2-difluoro-1-quinolin-5-ylethoxy)acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156264012
6-[3-[2-[1-(4-Fluorophenyl)cyclopropyl]oxyacetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156264017
6-[3-[2-[1-(2-Fluorophenyl)cyclopropyl]oxyacetyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
CID 156264018

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone?
The IUPAC name of 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone (CID 148658082) is 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone.
What is the SMILES notation for 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone?
The canonical SMILES for 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone is O=C(COCc1cccc2cnccc12)N1CC2CCC(C1)N2c1ccc(F)cn1.
What is the InChIKey of 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone?
The InChIKey is NNFVEHRZJBPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-18-4-7-22(26-11-18)28-19-5-6-20(28)13-27(12-19)23(29)15-30-14-17-3-1-2-16-10-25-9-8-21(16)17/h1-4,7-11,19-20H,5-6,12-15H2.
What are the key properties of 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone?
1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone has a molecular weight of 406.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-fluoro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(isoquinolin-5-ylmethoxy)ethanone is sourced from PubChem (CID 148658082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).