[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C20H24FN3O5 — CID 71152833

IUPAC[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1ccc2ncc(F)c(C(C)C(O)C34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C20H24FN3O5/c1-11(15-12(21)9-22-13-3-4-14(28-2)23-16(13)15)17(25)20-7-5-19(6-8-20,10-29-20)24-18(26)27/h3-4,9,11,17,24-25H,5-8,10H2,1-2H3,(H,26,27)
InChIKeyCHBBGMYFWQMRJA-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.59
Rot. Bonds5

About [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71152833) has the molecular formula C20H24FN3O5 and a molecular weight of 405.43 g/mol. Its IUPAC name is [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71152833
Molecular FormulaC20H24FN3O5
Molecular Weight405.43 g/mol
Exact Mass405.17
IUPAC Name[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1ccc2ncc(F)c(C(C)C(O)C34CCC(NC(=O)O)(CC3)CO4)c2n1
InChIInChI=1S/C20H24FN3O5/c1-11(15-12(21)9-22-13-3-4-14(28-2)23-16(13)15)17(25)20-7-5-19(6-8-20,10-29-20)24-18(26)27/h3-4,9,11,17,24-25H,5-8,10H2,1-2H3,(H,26,27)
InChIKeyCHBBGMYFWQMRJA-UHFFFAOYSA-N
XLogP2.59
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid 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

[1-[2-(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71152836
[1-[2-(3-cyano-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71151029
ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
CID 90362983
[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
CID 177226897
1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-methoxyethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 71151201
3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide
CID 90362967
3-butan-2-yloxy-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopropanoic acid
CID 67131048
(1S)-1-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 71181100
7-fluoro-6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-8-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71181495
[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71153089
tert-butyl N-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]-2-thiabicyclo[2.2.2]octan-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 71181501
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl]-2-thiabicyclo[2.2.2]octan-4-yl]amino]methyl]-1,2-dihydropyrido[2,3-b][1,4]oxazin-3-one
CID 71151144

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71152833) is [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is COc1ccc2ncc(F)c(C(C)C(O)C34CCC(NC(=O)O)(CC3)CO4)c2n1.
What is the InChIKey of [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is CHBBGMYFWQMRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5/c1-11(15-12(21)9-22-13-3-4-14(28-2)23-16(13)15)17(25)20-7-5-19(6-8-20,10-29-20)24-18(26)27/h3-4,9,11,17,24-25H,5-8,10H2,1-2H3,(H,26,27).
What are the key properties of [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 405.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 71152833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).