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

C31H33F2N7O2S — CID 66855407

IUPAC2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCC(F)(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C31H33F2N7O2S/c1-21-26(24-19-23(10-13-39(24)36-21)41-18-16-38-14-11-31(32,33)12-15-38)30-35-27(22-7-3-2-4-8-22)28(43-30)29-34-20-40(37-29)25-9-5-6-17-42-25/h2-4,7-8,10,13,19-20,25H,5-6,9,11-12,14-18H2,1H3
InChIKeyJESRVRBTKSKLOS-UHFFFAOYSA-N
MW605.72 g/mol
LogP6.50
Rot. Bonds8

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

2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (PubChem CID 66855407) has the molecular formula C31H33F2N7O2S and a molecular weight of 605.72 g/mol. Its IUPAC name is 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
PubChem CID66855407
Molecular FormulaC31H33F2N7O2S
Molecular Weight605.72 g/mol
Exact Mass605.24
IUPAC Name2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCC(F)(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C31H33F2N7O2S/c1-21-26(24-19-23(10-13-39(24)36-21)41-18-16-38-14-11-31(32,33)12-15-38)30-35-27(22-7-3-2-4-8-22)28(43-30)29-34-20-40(37-29)25-9-5-6-17-42-25/h2-4,7-8,10,13,19-20,25H,5-6,9,11-12,14-18H2,1H3
InChIKeyJESRVRBTKSKLOS-UHFFFAOYSA-N
XLogP6.50
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-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]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole (CID 66855407) is 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-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]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is Cc1nn2ccc(OCCN3CCC(F)(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn(C3CCCCO3)n2)s1.
What is the InChIKey of 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
The InChIKey is JESRVRBTKSKLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F2N7O2S/c1-21-26(24-19-23(10-13-39(24)36-21)41-18-16-38-14-11-31(32,33)12-15-38)30-35-27(22-7-3-2-4-8-22)28(43-30)29-34-20-40(37-29)25-9-5-6-17-42-25/h2-4,7-8,10,13,19-20,25H,5-6,9,11-12,14-18H2,1H3.
What are the key properties of 2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole?
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole has a molecular weight of 605.72 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 10 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]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 66855407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).