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

C42H34FN11O3S2 — CID 123703183

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-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol (PubChem CID 123703183) has the molecular formula C42H34FN11O3S2 and a molecular weight of 823.94 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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
• PubChem CID: 123703183
• Molecular Formula: C42H34FN11O3S2
• Molecular Weight: 823.94 g/mol
• Exact Mass: 823.23
• 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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
• SMILES: Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2CO)c(C2=NN=CC2)s1
• InChI: InChI=1S/C22H19N5O2S.C20H15FN6OS/c1-13-19(18-4-2-3-9-27(18)26-13)22-24-20(21(30-22)17-7-8-23-25-17)16-6-5-14(11-28)10-15(16)12-29;1-11-15(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/h2-6,8-10,28-29H,7,11-12H2,1H3;2-8,10,28H,9H2,1H3,(H,22,23,25)
• InChIKey: UMDAGTLFGXQSMJ-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 187.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.94
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol (CID 123703183) 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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol is Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2CO)c(C2=NN=CC2)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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?

The InChIKey is UMDAGTLFGXQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S.C20H15FN6OS/c1-13-19(18-4-2-3-9-27(18)26-13)22-24-20(21(30-22)17-7-8-23-25-17)16-6-5-14(11-28)10-15(16)12-29;1-11-15(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/h2-6,8-10,28-29H,7,11-12H2,1H3;2-8,10,28H,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-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol has a molecular weight of 823.94 g/mol, XLogP of 7.45, 9 rotatable bonds, 4 hydrogen bond donors, and 15 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;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol is sourced from PubChem (CID 123703183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).