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

C26H26FN7OS — CID 58094741

IUPAC2-[5-[2-(4-fluoropiperidin-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)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H26FN7OS/c1-17-22(26-30-23(18-5-3-2-4-6-18)24(36-26)25-28-16-29-31-25)21-15-20(9-12-34(21)32-17)35-14-13-33-10-7-19(27)8-11-33/h2-6,9,12,15-16,19H,7-8,10-11,13-14H2,1H3,(H,28,29,31)
InChIKeyNOZHZEWYRDWDJI-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.03
Rot. Bonds7

About 2-[5-[2-(4-fluoropiperidin-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-fluoropiperidin-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 58094741) has the molecular formula C26H26FN7OS and a molecular weight of 503.61 g/mol. Its IUPAC name is 2-[5-[2-(4-fluoropiperidin-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-fluoropiperidin-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 CID58094741
Molecular FormulaC26H26FN7OS
Molecular Weight503.61 g/mol
Exact Mass503.19
IUPAC Name2-[5-[2-(4-fluoropiperidin-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)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C26H26FN7OS/c1-17-22(26-30-23(18-5-3-2-4-6-18)24(36-26)25-28-16-29-31-25)21-15-20(9-12-34(21)32-17)35-14-13-33-10-7-19(27)8-11-33/h2-6,9,12,15-16,19H,7-8,10-11,13-14H2,1H3,(H,28,29,31)
InChIKeyNOZHZEWYRDWDJI-UHFFFAOYSA-N
XLogP5.03
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluoropiperidin-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-fluoropiperidin-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 58094741) is 2-[5-[2-(4-fluoropiperidin-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-fluoropiperidin-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-fluoropiperidin-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)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-[5-[2-(4-fluoropiperidin-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 NOZHZEWYRDWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7OS/c1-17-22(26-30-23(18-5-3-2-4-6-18)24(36-26)25-28-16-29-31-25)21-15-20(9-12-34(21)32-17)35-14-13-33-10-7-19(27)8-11-33/h2-6,9,12,15-16,19H,7-8,10-11,13-14H2,1H3,(H,28,29,31).
What are the key properties of 2-[5-[2-(4-fluoropiperidin-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-fluoropiperidin-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 503.61 g/mol, XLogP of 5.03, 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-fluoropiperidin-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 58094741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).