1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone

C27H26FN7O3S — CID 58095278

IUPAC1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccn3nc(C)c(-c4nc(-c5c(F)cccc5CO)c(-c5ncn[nH]5)s4)c3c2)CC1
InChIInChI=1S/C27H26FN7O3S/c1-15-22(21-12-19(8-11-35(21)33-15)38-18-6-9-34(10-7-18)16(2)37)27-31-24(25(39-27)26-29-14-30-32-26)23-17(13-36)4-3-5-20(23)28/h3-5,8,11-12,14,18,36H,6-7,9-10,13H2,1-2H3,(H,29,30,32)
InChIKeyWOESCPGXEDMYLQ-UHFFFAOYSA-N
MW547.62 g/mol
LogP4.24
Rot. Bonds6

About 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone

1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone (PubChem CID 58095278) has the molecular formula C27H26FN7O3S and a molecular weight of 547.62 g/mol. Its IUPAC name is 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone
PubChem CID58095278
Molecular FormulaC27H26FN7O3S
Molecular Weight547.62 g/mol
Exact Mass547.18
IUPAC Name1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccn3nc(C)c(-c4nc(-c5c(F)cccc5CO)c(-c5ncn[nH]5)s4)c3c2)CC1
InChIInChI=1S/C27H26FN7O3S/c1-15-22(21-12-19(8-11-35(21)33-15)38-18-6-9-34(10-7-18)16(2)37)27-31-24(25(39-27)26-29-14-30-32-26)23-17(13-36)4-3-5-20(23)28/h3-5,8,11-12,14,18,36H,6-7,9-10,13H2,1-2H3,(H,29,30,32)
InChIKeyWOESCPGXEDMYLQ-UHFFFAOYSA-N
XLogP4.24
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone with MolForge

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Related Compounds

N'-methyl-4-phenoxy-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109427358
tert-butyl 4-[3-(6-oxo-1-propan-2-ylpyridazin-3-yl)-2-phenylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidine-1-carboxylate
CID 86592768
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carboxamide
CID 145485873
(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone
CID 140595019
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
CID 59526930
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
CID 25052527
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone (CID 58095278) is 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2ccn3nc(C)c(-c4nc(-c5c(F)cccc5CO)c(-c5ncn[nH]5)s4)c3c2)CC1.
What is the InChIKey of 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone?
The InChIKey is WOESCPGXEDMYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O3S/c1-15-22(21-12-19(8-11-35(21)33-15)38-18-6-9-34(10-7-18)16(2)37)27-31-24(25(39-27)26-29-14-30-32-26)23-17(13-36)4-3-5-20(23)28/h3-5,8,11-12,14,18,36H,6-7,9-10,13H2,1-2H3,(H,29,30,32).
What are the key properties of 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone?
1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone has a molecular weight of 547.62 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-[2-fluoro-6-(hydroxymethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 58095278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).