3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid

C24H26FN3O3S — CID 134499084

IUPAC3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)c2nc(CCCC3CCc4cccnc4N3)cs2)cc1F
InChIInChI=1S/C24H26FN3O3S/c1-31-21-10-8-16(12-20(21)25)19(13-22(29)30)24-28-18(14-32-24)6-2-5-17-9-7-15-4-3-11-26-23(15)27-17/h3-4,8,10-12,14,17,19H,2,5-7,9,13H2,1H3,(H,26,27)(H,29,30)
InChIKeyYLLCLNSZXBIGDJ-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.04
Rot. Bonds9

About 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid

3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid (PubChem CID 134499084) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid
PubChem CID134499084
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)c2nc(CCCC3CCc4cccnc4N3)cs2)cc1F
InChIInChI=1S/C24H26FN3O3S/c1-31-21-10-8-16(12-20(21)25)19(13-22(29)30)24-28-18(14-32-24)6-2-5-17-9-7-15-4-3-11-26-23(15)27-17/h3-4,8,10-12,14,17,19H,2,5-7,9,13H2,1H3,(H,26,27)(H,29,30)
InChIKeyYLLCLNSZXBIGDJ-UHFFFAOYSA-N
XLogP5.04
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
3-(Benzo[d][1,3]dioxol-5-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 9956141
3-(6-Methoxypyridin-3-yl)-4-(2-(3-(1-methyl-1,2,3,4-tetrahydropyrido[3,2-b]pyrazin-6-yl)propyl)thiazol-4-yl)butanoic acid
CID 10073290
3-(3,5-Dimethoxyphenyl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10073952
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-(pyrrolidin-1-yl)pyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 10391088
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-thiomorpholinopyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 10414569
3-(6-Methoxypyridin-3-yl)-4-(2-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)thiazol-4-yl)butanoic acid
CID 10479033
3-(3-Fluoro-4-methoxyphenyl)-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoic acid
CID 10479802
3-(6-Methoxypyridin-3-yl)-4-(2-(4-(4-morpholinopyridin-2-ylamino)butyl)thiazol-4-yl)butanoic acid
CID 11756112
1-[[6-(1,3-Thiazol-2-ylamino)-2-pyridinyl]methyl]-4-[3-(trifluoromethyl)phenoxy]cyclohexane-1-carboxylic acid;hydrochloride
CID 87251806
4-[2-Fluoro-3-(trifluoromethyl)phenoxy]-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 87251856
4-(2,3-Difluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 87251859

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid (CID 134499084) is 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid is COc1ccc(C(CC(=O)O)c2nc(CCCC3CCc4cccnc4N3)cs2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is YLLCLNSZXBIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-31-21-10-8-16(12-20(21)25)19(13-22(29)30)24-28-18(14-32-24)6-2-5-17-9-7-15-4-3-11-26-23(15)27-17/h3-4,8,10-12,14,17,19H,2,5-7,9,13H2,1H3,(H,26,27)(H,29,30).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid has a molecular weight of 455.56 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-3-[4-[3-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 134499084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).