2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

C31H28N6O2S — CID 91275100

IUPAC2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(C2(C3CCCCO3)N=CN=N2)s1
InChIInChI=1S/C31H28N6O2S/c1-21-27(25-18-24(15-16-37(25)35-21)39-19-22-10-4-2-5-11-22)30-34-28(23-12-6-3-7-13-23)29(40-30)31(32-20-33-36-31)26-14-8-9-17-38-26/h2-7,10-13,15-16,18,20,26H,8-9,14,17,19H2,1H3
InChIKeyJYRGTBRQUWMMCD-UHFFFAOYSA-N
MW548.67 g/mol
LogP7.23
Rot. Bonds7

About 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole

2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (PubChem CID 91275100) has the molecular formula C31H28N6O2S and a molecular weight of 548.67 g/mol. Its IUPAC name is 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
PubChem CID91275100
Molecular FormulaC31H28N6O2S
Molecular Weight548.67 g/mol
Exact Mass548.20
IUPAC Name2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(C2(C3CCCCO3)N=CN=N2)s1
InChIInChI=1S/C31H28N6O2S/c1-21-27(25-18-24(15-16-37(25)35-21)39-19-22-10-4-2-5-11-22)30-34-28(23-12-6-3-7-13-23)29(40-30)31(32-20-33-36-31)26-14-8-9-17-38-26/h2-7,10-13,15-16,18,20,26H,8-9,14,17,19H2,1H3
InChIKeyJYRGTBRQUWMMCD-UHFFFAOYSA-N
XLogP7.23
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.67
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-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 66855151
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
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
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
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CID 88984131
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (CID 91275100) is 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(C2(C3CCCCO3)N=CN=N2)s1.
What is the InChIKey of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The InChIKey is JYRGTBRQUWMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O2S/c1-21-27(25-18-24(15-16-37(25)35-21)39-19-22-10-4-2-5-11-22)30-34-28(23-12-6-3-7-13-23)29(40-30)31(32-20-33-36-31)26-14-8-9-17-38-26/h2-7,10-13,15-16,18,20,26H,8-9,14,17,19H2,1H3.
What are the key properties of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole has a molecular weight of 548.67 g/mol, XLogP of 7.23, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 91275100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).