2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol

C21H18N6O2S — CID 46865517

IUPAC2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
SMILESCc1nn2ccc(OCCO)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C21H18N6O2S/c1-13-17(16-11-15(29-10-9-28)7-8-27(16)26-13)21-24-18(14-5-3-2-4-6-14)19(30-21)20-22-12-23-25-20/h2-8,11-12,28H,9-10H2,1H3,(H,22,23,25)
InChIKeySDOXVUYFCYPPNM-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.59
Rot. Bonds6

About 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol

2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol (PubChem CID 46865517) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
PubChem CID46865517
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC Name2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
SMILESCc1nn2ccc(OCCO)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C21H18N6O2S/c1-13-17(16-11-15(29-10-9-28)7-8-27(16)26-13)21-24-18(14-5-3-2-4-6-14)19(30-21)20-22-12-23-25-20/h2-8,11-12,28H,9-10H2,1H3,(H,22,23,25)
InChIKeySDOXVUYFCYPPNM-UHFFFAOYSA-N
XLogP3.59
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865190
2-[2-methyl-3-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 58095053
[4-[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 58095101
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]morpholine
CID 58095208
4-(3-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865294
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine
CID 160558787
5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole
CID 118258034
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole
CID 118258057
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
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 58095010
acetic acid;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 66855389
2-[5-(2-chloroethoxy)-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
CID 66855394

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol?
The IUPAC name of 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol (CID 46865517) is 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol.
What is the SMILES notation for 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol?
The canonical SMILES for 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol is Cc1nn2ccc(OCCO)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol?
The InChIKey is SDOXVUYFCYPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-13-17(16-11-15(29-10-9-28)7-8-27(16)26-13)21-24-18(14-5-3-2-4-6-14)19(30-21)20-22-12-23-25-20/h2-8,11-12,28H,9-10H2,1H3,(H,22,23,25).
What are the key properties of 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol?
2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol has a molecular weight of 418.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol is sourced from PubChem (CID 46865517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).