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

C27H27FN6OS — CID 118258057

IUPAC2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCC(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C27H27FN6OS/c1-18-23(27-31-24(19-5-3-2-4-6-19)25(36-27)26-29-10-11-30-26)22-17-21(9-14-34(22)32-18)35-16-15-33-12-7-20(28)8-13-33/h2-6,9-11,14,17,20H,7-8,12-13,15-16H2,1H3,(H,29,30)
InChIKeyWYYQWBXNVDFKQO-UHFFFAOYSA-N
MW502.62 g/mol
LogP5.64
Rot. Bonds7

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

2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole (PubChem CID 118258057) has the molecular formula C27H27FN6OS and a molecular weight of 502.62 g/mol. Its IUPAC name is 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole
PubChem CID118258057
Molecular FormulaC27H27FN6OS
Molecular Weight502.62 g/mol
Exact Mass502.20
IUPAC Name2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCC(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C27H27FN6OS/c1-18-23(27-31-24(19-5-3-2-4-6-19)25(36-27)26-29-10-11-30-26)22-17-21(9-14-34(22)32-18)35-16-15-33-12-7-20(28)8-13-33/h2-6,9-11,14,17,20H,7-8,12-13,15-16H2,1H3,(H,29,30)
InChIKeyWYYQWBXNVDFKQO-UHFFFAOYSA-N
XLogP5.64
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-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-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole (CID 118258057) is 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-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]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole is Cc1nn2ccc(OCCN3CCC(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
The InChIKey is WYYQWBXNVDFKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6OS/c1-18-23(27-31-24(19-5-3-2-4-6-19)25(36-27)26-29-10-11-30-26)22-17-21(9-14-34(22)32-18)35-16-15-33-12-7-20(28)8-13-33/h2-6,9-11,14,17,20H,7-8,12-13,15-16H2,1H3,(H,29,30).
What are the key properties of 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole?
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole has a molecular weight of 502.62 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 118258057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).