3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid

C24H26FN3O3S — CID 134499430

IUPAC3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)c2ncc(CCCc3ccc4c(n3)NCCC4)s2)cc1F
InChIInChI=1S/C24H26FN3O3S/c1-31-21-10-8-16(12-20(21)25)19(13-22(29)30)24-27-14-18(32-24)6-2-5-17-9-7-15-4-3-11-26-23(15)28-17/h7-10,12,14,19H,2-6,11,13H2,1H3,(H,26,28)(H,29,30)
InChIKeyQMQQAYAICVRTEQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.83
Rot. Bonds9

About 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid

3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid (PubChem CID 134499430) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid
PubChem CID134499430
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)c2ncc(CCCc3ccc4c(n3)NCCC4)s2)cc1F
InChIInChI=1S/C24H26FN3O3S/c1-31-21-10-8-16(12-20(21)25)19(13-22(29)30)24-27-14-18(32-24)6-2-5-17-9-7-15-4-3-11-26-23(15)28-17/h7-10,12,14,19H,2-6,11,13H2,1H3,(H,26,28)(H,29,30)
InChIKeyQMQQAYAICVRTEQ-UHFFFAOYSA-N
XLogP4.83
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid with MolForge

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Related Compounds

(3R)-3-(3-fluoro-4-methoxyphenyl)-3-[5-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-thiazol-2-yl]propanoic acid
CID 134501512
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1H-pyrazol-3-yl]propanoic acid
CID 134501412
2-(3-fluoro-4-methoxyphenyl)-3-[5-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-thiazol-2-yl]propanoic acid
CID 134498628
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoic acid
CID 139433448
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]azetidin-3-yl]amino]propanoic acid
CID 134500120
3-(3-fluoro-4-methoxyphenyl)-3-[(3R)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]azetidin-1-yl]propanoic acid
CID 134500281
ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[1-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]imidazol-2-yl]propanoate
CID 134499433
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-oxo-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]azetidin-1-yl]propanoic acid
CID 139450744
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoic acid
CID 139450718
3-[[1-amino-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hex-1-en-3-ylidene]amino]-3-(5-fluoro-6-methoxy-3-pyridinyl)propanoic acid
CID 174012808
(3R)-3-[6-(dimethylamino)-3-pyridinyl]-3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-thiazol-2-yl]propanoic acid
CID 134499392
3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]pyrazol-1-yl]propanoic acid
CID 162055926

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid (CID 134499430) is 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-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-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid is COc1ccc(C(CC(=O)O)c2ncc(CCCc3ccc4c(n3)NCCC4)s2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
The InChIKey is QMQQAYAICVRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-31-21-10-8-16(12-20(21)25)19(13-22(29)30)24-27-14-18(32-24)6-2-5-17-9-7-15-4-3-11-26-23(15)28-17/h7-10,12,14,19H,2-6,11,13H2,1H3,(H,26,28)(H,29,30).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid?
3-(3-fluoro-4-methoxyphenyl)-3-[5-[3-(5,6,7,8-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 4.83, 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-[5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-2-yl]propanoic acid is sourced from PubChem (CID 134499430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).