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

C26H25F2N7OS — CID 58095231

IUPAC2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCC(F)(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H25F2N7OS/c1-17-21(25-31-22(18-5-3-2-4-6-18)23(37-25)24-29-16-30-32-24)20-15-19(7-10-35(20)33-17)36-14-13-34-11-8-26(27,28)9-12-34/h2-7,10,15-16H,8-9,11-14H2,1H3,(H,29,30,32)
InChIKeyWJZCAIDFTOVLFL-UHFFFAOYSA-N
MW521.60 g/mol
LogP5.33
Rot. Bonds7

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

2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58095231) has the molecular formula C26H25F2N7OS and a molecular weight of 521.60 g/mol. Its IUPAC name is 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58095231
Molecular FormulaC26H25F2N7OS
Molecular Weight521.60 g/mol
Exact Mass521.18
IUPAC Name2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCC(F)(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H25F2N7OS/c1-17-21(25-31-22(18-5-3-2-4-6-18)23(37-25)24-29-16-30-32-24)20-15-19(7-10-35(20)33-17)36-14-13-34-11-8-26(27,28)9-12-34/h2-7,10,15-16H,8-9,11-14H2,1H3,(H,29,30,32)
InChIKeyWJZCAIDFTOVLFL-UHFFFAOYSA-N
XLogP5.33
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58095231) is 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[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-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccc(OCCN3CCC(F)(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is WJZCAIDFTOVLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7OS/c1-17-21(25-31-22(18-5-3-2-4-6-18)23(37-25)24-29-16-30-32-24)20-15-19(7-10-35(20)33-17)36-14-13-34-11-8-26(27,28)9-12-34/h2-7,10,15-16H,8-9,11-14H2,1H3,(H,29,30,32).
What are the key properties of 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 521.60 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58095231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).