3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid

C23H26N4O5 — CID 10478285

IUPAC3-(6-methoxy-3-pyridinyl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid
SMILESCOC1=NC=C(C=C1)C(CC2=CC(=NO2)OCCC3=NC4=C(CCCN4)C=C3)CC(=O)O
InChIInChI=1S/C23H26N4O5/c1-30-20-7-5-16(14-25-20)17(12-22(28)29)11-19-13-21(27-32-19)31-10-8-18-6-4-15-3-2-9-24-23(15)26-18/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,24,26)(H,28,29)
InChIKeyQHSKOAKVMQHGPS-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.10
Rot. Bonds10

About 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid

3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid (PubChem CID 10478285) has the molecular formula C23H26N4O5 and a molecular weight of 438.50 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid.

Molecular Properties

Compound Name3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid
PubChem CID10478285
Molecular FormulaC23H26N4O5
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name3-(6-methoxy-3-pyridinyl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid
SMILESCOC1=NC=C(C=C1)C(CC2=CC(=NO2)OCCC3=NC4=C(CCCN4)C=C3)CC(=O)O
InChIInChI=1S/C23H26N4O5/c1-30-20-7-5-16(14-25-20)17(12-22(28)29)11-19-13-21(27-32-19)31-10-8-18-6-4-15-3-2-9-24-23(15)26-18/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,24,26)(H,28,29)
InChIKeyQHSKOAKVMQHGPS-UHFFFAOYSA-N
XLogP3.10
TPSA120.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity597

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-(Benzo[d][1,3]dioxol-5-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid
CID 10411516
3-(6-Methoxypyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)-1,2,4-oxadiazol-5-yl)butanoic acid
CID 10457584
3-(2-(4-Chlorophenyl)thiazol-5-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid
CID 10256289
US11091471, Example 141
CID 134604398
3-(3-Fluorophenyl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid
CID 21927921
[6-[[5-Methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-1,2,3,4-tetrahydro-2,7-naphthyridin-1-yl] 2,2,2-trifluoroacetate
CID 172214883
[6-[[5-Methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-1,2,3,4-tetrahydro-2,7-naphthyridin-1-yl] 2,2,2-trifluoroacetate
CID 172214884
5-Methyl-3-(6-methyl-3-pyridinyl)-4-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yloxymethyl)-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 175592462
5-Methyl-4-(5,6,7,8-tetrahydro-2,7-naphthyridin-3-yloxymethyl)-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 175592465
US20250051323, Example 1
CID 168179719
US20250051323, Example 13
CID 168179737
2-[1-(1,2-Oxazol-5-yl)-2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 10112789

Frequently Asked Questions

What is the IUPAC name of 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid?
The IUPAC name of 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid (CID 10478285) is 3-(6-methoxy-3-pyridinyl)-4-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-1,2-oxazol-5-yl]butanoic acid.
What is the SMILES notation for 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid?
The canonical SMILES for 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid is COC1=NC=C(C=C1)C(CC2=CC(=NO2)OCCC3=NC4=C(CCCN4)C=C3)CC(=O)O.
What is the InChIKey of 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid?
The InChIKey is QHSKOAKVMQHGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-30-20-7-5-16(14-25-20)17(12-22(28)29)11-19-13-21(27-32-19)31-10-8-18-6-4-15-3-2-9-24-23(15)26-18/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,24,26)(H,28,29).
What are the key properties of 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid?
3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid has a molecular weight of 438.50 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-Methoxypyridin-3-yl)-4-(3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy)isoxazol-5-yl)butanoic acid is sourced from PubChem (CID 10478285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).