4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

C20H17FN4O2S — CID 66856183

IUPAC4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=O
InChIInChI=1S/C20H17FN4O2S/c1-3-27-14-9-6-7-12(21)16(14)17-18(19(22)26)28-20(23-17)15-11(2)24-25-10-5-4-8-13(15)25/h4-10H,3H2,1-2H3,(H2,22,26)
InChIKeyZPNQXHLGJRLVJB-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.07
Rot. Bonds5

About 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 66856183) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID66856183
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=O
InChIInChI=1S/C20H17FN4O2S/c1-3-27-14-9-6-7-12(21)16(14)17-18(19(22)26)28-20(23-17)15-11(2)24-25-10-5-4-8-13(15)25/h4-10H,3H2,1-2H3,(H2,22,26)
InChIKeyZPNQXHLGJRLVJB-UHFFFAOYSA-N
XLogP4.07
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 66856183) is 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is CCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=O.
What is the InChIKey of 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZPNQXHLGJRLVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-3-27-14-9-6-7-12(21)16(14)17-18(19(22)26)28-20(23-17)15-11(2)24-25-10-5-4-8-13(15)25/h4-10H,3H2,1-2H3,(H2,22,26).
What are the key properties of 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66856183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).