2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C26H18F3N7OS — CID 58095124

About 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58095124) has the molecular formula C26H18F3N7OS and a molecular weight of 533.54 g/mol. Its IUPAC name is 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
• PubChem CID: 58095124
• Molecular Formula: C26H18F3N7OS
• Molecular Weight: 533.54 g/mol
• Exact Mass: 533.12
• IUPAC Name: 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
• SMILES: Cc1nn2ccc(OCc3ccc(C(F)(F)F)nc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
• InChI: InChI=1S/C26H18F3N7OS/c1-15-21(25-33-22(17-5-3-2-4-6-17)23(38-25)24-31-14-32-34-24)19-11-18(9-10-36(19)35-15)37-13-16-7-8-20(30-12-16)26(27,28)29/h2-12,14H,13H2,1H3,(H,31,32,34)
• InChIKey: DDNABBDWQMTFFT-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.54
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The IUPAC name of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58095124) is 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

What is the SMILES notation for 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The canonical SMILES for 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccc(OCc3ccc(C(F)(F)F)nc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.

What is the InChIKey of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The InChIKey is DDNABBDWQMTFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N7OS/c1-15-21(25-33-22(17-5-3-2-4-6-17)23(38-25)24-31-14-32-34-24)19-11-18(9-10-36(19)35-15)37-13-16-7-8-20(30-12-16)26(27,28)29/h2-12,14H,13H2,1H3,(H,31,32,34).

What are the key properties of 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 533.54 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58095124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).