4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

C26H21FN4O3S — CID 66855354

IUPAC4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)sc1C(N)=O
InChIInChI=1S/C26H21FN4O3S/c1-15-21(19-13-17(11-12-31(19)30-15)34-14-16-7-4-3-5-8-16)26-29-23(24(35-26)25(28)32)22-18(27)9-6-10-20(22)33-2/h3-13H,14H2,1-2H3,(H2,28,32)
InChIKeyDKBMWUGJRCLADD-UHFFFAOYSA-N
MW488.54 g/mol
LogP5.26
Rot. Bonds7

About 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide

4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 66855354) has the molecular formula C26H21FN4O3S and a molecular weight of 488.54 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID66855354
Molecular FormulaC26H21FN4O3S
Molecular Weight488.54 g/mol
Exact Mass488.13
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)sc1C(N)=O
InChIInChI=1S/C26H21FN4O3S/c1-15-21(19-13-17(11-12-31(19)30-15)34-14-16-7-4-3-5-8-16)26-29-23(24(35-26)25(28)32)22-18(27)9-6-10-20(22)33-2/h3-13H,14H2,1-2H3,(H2,28,32)
InChIKeyDKBMWUGJRCLADD-UHFFFAOYSA-N
XLogP5.26
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 66855354) is 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCc4ccccc4)cc23)sc1C(N)=O.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DKBMWUGJRCLADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3S/c1-15-21(19-13-17(11-12-31(19)30-15)34-14-16-7-4-3-5-8-16)26-29-23(24(35-26)25(28)32)22-18(27)9-6-10-20(22)33-2/h3-13H,14H2,1-2H3,(H2,28,32).
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide?
4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66855354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).