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

C21H16FN5OS — CID 118258065

IUPAC[3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncc[nH]2)s1
InChIInChI=1S/C21H16FN5OS/c1-12-16(15-7-2-3-10-27(15)26-12)21-25-18(19(29-21)20-23-8-9-24-20)17-13(11-28)5-4-6-14(17)22/h2-10,28H,11H2,1H3,(H,23,24)
InChIKeyWSLUYTVSEVHLJX-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.45
Rot. Bonds4

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

[3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol (PubChem CID 118258065) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
PubChem CID118258065
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC Name[3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncc[nH]2)s1
InChIInChI=1S/C21H16FN5OS/c1-12-16(15-7-2-3-10-27(15)26-12)21-25-18(19(29-21)20-23-8-9-24-20)17-13(11-28)5-4-6-14(17)22/h2-10,28H,11H2,1H3,(H,23,24)
InChIKeyWSLUYTVSEVHLJX-UHFFFAOYSA-N
XLogP4.45
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol (CID 118258065) is [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol is Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncc[nH]2)s1.
What is the InChIKey of [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The InChIKey is WSLUYTVSEVHLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c1-12-16(15-7-2-3-10-27(15)26-12)21-25-18(19(29-21)20-23-8-9-24-20)17-13(11-28)5-4-6-14(17)22/h2-10,28H,11H2,1H3,(H,23,24).
What are the key properties of [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
[3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol has a molecular weight of 405.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol is sourced from PubChem (CID 118258065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).