methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone

C28H32N8O2S — CID 157089222

About methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone

methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone (PubChem CID 157089222) has the molecular formula C28H32N8O2S and a molecular weight of 544.69 g/mol. Its IUPAC name is methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone
• PubChem CID: 157089222
• Molecular Formula: C28H32N8O2S
• Molecular Weight: 544.69 g/mol
• Exact Mass: 544.24
• IUPAC Name: methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone
• SMILES: C.CC(=O)N1CCN(CCOc2ccn3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn[nH]5)s4)c3c2)CC1
• InChI: InChI=1S/C27H28N8O2S.CH4/c1-18-23(27-30-24(20-6-4-3-5-7-20)25(38-27)26-28-17-29-31-26)22-16-21(8-9-35(22)32-18)37-15-14-33-10-12-34(13-11-33)19(2)36;/h3-9,16-17H,10-15H2,1-2H3,(H,28,29,31);1H4
• InChIKey: AELRYFPXVLSYNA-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 104.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.69
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone?

The IUPAC name of methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone (CID 157089222) is methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone.

What is the SMILES notation for methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone?

The canonical SMILES for methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone is C.CC(=O)N1CCN(CCOc2ccn3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn[nH]5)s4)c3c2)CC1.

What is the InChIKey of methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone?

The InChIKey is AELRYFPXVLSYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2S.CH4/c1-18-23(27-30-24(20-6-4-3-5-7-20)25(38-27)26-28-17-29-31-26)22-16-21(8-9-35(22)32-18)37-15-14-33-10-12-34(13-11-33)19(2)36;/h3-9,16-17H,10-15H2,1-2H3,(H,28,29,31);1H4.

What are the key properties of methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone?

methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone has a molecular weight of 544.69 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-[4-[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]oxyethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157089222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).