4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid

C24H24F5N5O3S — CID 175350627

IUPAC4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1(Cc2ccnc(OCC(F)(F)F)c2F)CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1
InChIInChI=1S/C24H24F5N5O3S/c1-22(10-14-4-6-30-19(18(14)26)37-13-24(27,28)29)12-23(20(35)36,5-7-32-22)11-16-15(25)2-3-17(33-16)34-21-31-8-9-38-21/h2-4,6,8-9,32H,5,7,10-13H2,1H3,(H,35,36)(H,31,33,34)
InChIKeyLYRGFJHYEJQDIW-UHFFFAOYSA-N
MW557.55 g/mol
LogP4.89
Rot. Bonds9

About 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid

4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 175350627) has the molecular formula C24H24F5N5O3S and a molecular weight of 557.55 g/mol. Its IUPAC name is 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID175350627
Molecular FormulaC24H24F5N5O3S
Molecular Weight557.55 g/mol
Exact Mass557.15
IUPAC Name4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1(Cc2ccnc(OCC(F)(F)F)c2F)CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1
InChIInChI=1S/C24H24F5N5O3S/c1-22(10-14-4-6-30-19(18(14)26)37-13-24(27,28)29)12-23(20(35)36,5-7-32-22)11-16-15(25)2-3-17(33-16)34-21-31-8-9-38-21/h2-4,6,8-9,32H,5,7,10-13H2,1H3,(H,35,36)(H,31,33,34)
InChIKeyLYRGFJHYEJQDIW-UHFFFAOYSA-N
XLogP4.89
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.55
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid (CID 175350627) is 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid is CC1(Cc2ccnc(OCC(F)(F)F)c2F)CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1.
What is the InChIKey of 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is LYRGFJHYEJQDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N5O3S/c1-22(10-14-4-6-30-19(18(14)26)37-13-24(27,28)29)12-23(20(35)36,5-7-32-22)11-16-15(25)2-3-17(33-16)34-21-31-8-9-38-21/h2-4,6,8-9,32H,5,7,10-13H2,1H3,(H,35,36)(H,31,33,34).
What are the key properties of 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid?
4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 557.55 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 175350627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).