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

C20H15FN6OS — CID 58095247

IUPAC[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H15FN6OS/c1-11-15(14-7-2-3-8-27(14)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(9-28)5-4-6-13(16)21/h2-8,10,28H,9H2,1H3,(H,22,23,25)
InChIKeyYGEDODLKWQZRBP-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.85
Rot. Bonds4

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

[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol (PubChem CID 58095247) has the molecular formula C20H15FN6OS and a molecular weight of 406.45 g/mol. Its IUPAC name is [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
PubChem CID58095247
Molecular FormulaC20H15FN6OS
Molecular Weight406.45 g/mol
Exact Mass406.10
IUPAC Name[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H15FN6OS/c1-11-15(14-7-2-3-8-27(14)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(9-28)5-4-6-13(16)21/h2-8,10,28H,9H2,1H3,(H,22,23,25)
InChIKeyYGEDODLKWQZRBP-UHFFFAOYSA-N
XLogP3.85
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol (CID 58095247) is [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol is Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1.
What is the InChIKey of [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The InChIKey is YGEDODLKWQZRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6OS/c1-11-15(14-7-2-3-8-27(14)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(9-28)5-4-6-13(16)21/h2-8,10,28H,9H2,1H3,(H,22,23,25).
What are the key properties of [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol?
[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol has a molecular weight of 406.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol is sourced from PubChem (CID 58095247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).