4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

C25H19FN4O2S — CID 66855496

IUPAC4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2F)c(C(N)=O)s1
InChIInChI=1S/C25H19FN4O2S/c1-15-21(25-28-22(23(33-25)24(27)31)18-9-5-6-10-19(18)26)20-13-17(11-12-30(20)29-15)32-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,27,31)
InChIKeyPFQGICGZVGQLCU-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.25
Rot. Bonds6

About 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 66855496) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID66855496
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC Name4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2F)c(C(N)=O)s1
InChIInChI=1S/C25H19FN4O2S/c1-15-21(25-28-22(23(33-25)24(27)31)18-9-5-6-10-19(18)26)20-13-17(11-12-30(20)29-15)32-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,27,31)
InChIKeyPFQGICGZVGQLCU-UHFFFAOYSA-N
XLogP5.25
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 66855496) is 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2F)c(C(N)=O)s1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PFQGICGZVGQLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c1-15-21(25-28-22(23(33-25)24(27)31)18-9-5-6-10-19(18)26)20-13-17(11-12-30(20)29-15)32-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,27,31).
What are the key properties of 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66855496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).