1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine

C21H26FN3O3 — CID 71181437

IUPAC1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESNC12CCC(CCc3c(F)cnc4ccc(O[C@H]5CCOC5)nc34)(CC1)OC2
InChIInChI=1S/C21H26FN3O3/c22-16-11-24-17-1-2-18(28-14-4-10-26-12-14)25-19(17)15(16)3-5-21-8-6-20(23,7-9-21)13-27-21/h1-2,11,14H,3-10,12-13,23H2/t14-,20?,21?/m0/s1
InChIKeyKAIWESXZKXGVML-YJPTXTSQSA-N
MW387.46 g/mol
LogP2.91
Rot. Bonds5

About 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine

1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine (PubChem CID 71181437) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine.

Molecular Properties

Compound Name1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
PubChem CID71181437
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
SMILESNC12CCC(CCc3c(F)cnc4ccc(O[C@H]5CCOC5)nc34)(CC1)OC2
InChIInChI=1S/C21H26FN3O3/c22-16-11-24-17-1-2-18(28-14-4-10-26-12-14)25-19(17)15(16)3-5-21-8-6-20(23,7-9-21)13-27-21/h1-2,11,14H,3-10,12-13,23H2/t14-,20?,21?/m0/s1
InChIKeyKAIWESXZKXGVML-YJPTXTSQSA-N
XLogP2.91
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine 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

carbon dioxide;1-[2-(3-fluoro-6-pentoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 158320496
[(2R,3S)-2-[[8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-yl]oxymethyl]oxetan-3-yl]carbamic acid
CID 71151210
[(3S)-2-[[8-[2-(4-amino-2-oxabicyclo[2.2.2]octan-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-yl]oxymethyl]oxetan-3-yl]carbamic acid
CID 71151214
1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 71151206
1-[2-(3,8-difluoro-6-methoxyquinolin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 71151120
N-[(4,5-dimethoxy-2-pyridinyl)methyl]-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 71153210
N-[(E)-3-(2,5-difluorophenyl)prop-2-enyl]-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 89315874
tert-butyl N-[1-[2-[3-fluoro-6-[3-(oxan-2-yloxy)propoxy]-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71152893
3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1H-quinolin-2-one
CID 144500181
5,8-difluoro-3-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-1-methylquinolin-2-one
CID 71152951
2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503167
N-[(4,5-dimethoxy-2-pyridinyl)methyl]-1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 90362894

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The IUPAC name of 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine (CID 71181437) is 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine.
What is the SMILES notation for 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The canonical SMILES for 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine is NC12CCC(CCc3c(F)cnc4ccc(O[C@H]5CCOC5)nc34)(CC1)OC2.
What is the InChIKey of 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
The InChIKey is KAIWESXZKXGVML-YJPTXTSQSA-N. The full InChI is InChI=1S/C21H26FN3O3/c22-16-11-24-17-1-2-18(28-14-4-10-26-12-14)25-19(17)15(16)3-5-21-8-6-20(23,7-9-21)13-27-21/h1-2,11,14H,3-10,12-13,23H2/t14-,20?,21?/m0/s1.
What are the key properties of 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine?
1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine has a molecular weight of 387.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-fluoro-6-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 71181437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).