2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C26H20N6OS — CID 58095010

IUPAC2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2OCc2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H20N6OS/c1-17-22(20-12-7-8-14-32(20)31-17)26-29-23(24(34-26)25-27-16-28-30-25)19-11-5-6-13-21(19)33-15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,27,28,30)
InChIKeyOLUFQMWQUWNDMK-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.80
Rot. Bonds6

About 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58095010) has the molecular formula C26H20N6OS and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58095010
Molecular FormulaC26H20N6OS
Molecular Weight464.55 g/mol
Exact Mass464.14
IUPAC Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2OCc2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H20N6OS/c1-17-22(20-12-7-8-14-32(20)31-17)26-29-23(24(34-26)25-27-16-28-30-25)19-11-5-6-13-21(19)33-15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,27,28,30)
InChIKeyOLUFQMWQUWNDMK-UHFFFAOYSA-N
XLogP5.80
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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[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
N-[(4-chlorophenyl)methyl]-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-amine
CID 91554596
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
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4-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]cyclohexa-2,4-dien-1-yl]morpholine
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5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
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2-(1,3-dimethylpyrazol-4-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 90890474
4-(2-fluorophenyl)-5-(4H-imidazol-5-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole
CID 58095190
N'-methyl-N'-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]ethane-1,2-diamine;methyl 3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzoate;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-piperazin-1-ylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(1H-pyrrol-2-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 159165475
N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide
CID 90720203
4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66856056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 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) is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2ccccc2OCc2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is OLUFQMWQUWNDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6OS/c1-17-22(20-12-7-8-14-32(20)31-17)26-29-23(24(34-26)25-27-16-28-30-25)19-11-5-6-13-21(19)33-15-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,27,28,30).
What are the key properties of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 464.55 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58095010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).