1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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 58094822

IUPAC1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OC4CCN(C(C)=O)CC4)cc23)sc1-c1ncn[nH]1
InChIInChI=1S/C27H26FN7O3S/c1-15-22(20-13-18(9-12-35(20)33-15)38-17-7-10-34(11-8-17)16(2)36)27-31-24(25(39-27)26-29-14-30-32-26)23-19(28)5-4-6-21(23)37-3/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,29,30,32)
InChIKeyKGSWYWQCKAVVFF-UHFFFAOYSA-N
MW547.62 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-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 58094822) 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-methoxyphenyl)-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-methoxyphenyl)-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 CID58094822
Molecular FormulaC27H26FN7O3S
Molecular Weight547.62 g/mol
Exact Mass547.18
IUPAC Name1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OC4CCN(C(C)=O)CC4)cc23)sc1-c1ncn[nH]1
InChIInChI=1S/C27H26FN7O3S/c1-15-22(20-13-18(9-12-35(20)33-15)38-17-7-10-34(11-8-17)16(2)36)27-31-24(25(39-27)26-29-14-30-32-26)23-19(28)5-4-6-21(23)37-3/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,29,30,32)
InChIKeyKGSWYWQCKAVVFF-UHFFFAOYSA-N
XLogP4.76
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-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 58094822) is 1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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 COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OC4CCN(C(C)=O)CC4)cc23)sc1-c1ncn[nH]1.
What is the InChIKey of 1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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 KGSWYWQCKAVVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O3S/c1-15-22(20-13-18(9-12-35(20)33-15)38-17-7-10-34(11-8-17)16(2)36)27-31-24(25(39-27)26-29-14-30-32-26)23-19(28)5-4-6-21(23)37-3/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,29,30,32).
What are the key properties of 1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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-methoxyphenyl)-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 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(2-fluoro-6-methoxyphenyl)-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 58094822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).