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

C27H28N8O2S — CID 58094945

IUPAC1-[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
SMILESCC(=O)N1CCN(CCOc2ccn3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn[nH]5)s4)c3c2)CC1
InChIInChI=1S/C27H28N8O2S/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)
InChIKeyKMFRMCDDOYTNLQ-UHFFFAOYSA-N
MW528.64 g/mol
LogP3.76
Rot. Bonds7

About 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

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 58094945) has the molecular formula C27H28N8O2S and a molecular weight of 528.64 g/mol. Its IUPAC name is 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 Name1-[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 CID58094945
Molecular FormulaC27H28N8O2S
Molecular Weight528.64 g/mol
Exact Mass528.21
IUPAC Name1-[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
SMILESCC(=O)N1CCN(CCOc2ccn3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn[nH]5)s4)c3c2)CC1
InChIInChI=1S/C27H28N8O2S/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)
InChIKeyKMFRMCDDOYTNLQ-UHFFFAOYSA-N
XLogP3.76
TPSA104.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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 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 58094945) is 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 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 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 CC(=O)N1CCN(CCOc2ccn3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn[nH]5)s4)c3c2)CC1.
What is the InChIKey of 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 KMFRMCDDOYTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O2S/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).
What are the key properties of 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?
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 528.64 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 58094945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).