2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C27H19F6N7O4S — CID 138649649

IUPAC2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C(=O)C(O)(C(F)(F)F)C(F)(F)F)nc4-c4ccccn4)cs3)cn2)cc1
InChIInChI=1S/C27H19F6N7O4S/c1-44-17-7-5-15(6-8-17)11-39-12-16(10-35-39)23-37-20(14-45-23)22(41)36-19-13-40(38-21(19)18-4-2-3-9-34-18)24(42)25(43,26(28,29)30)27(31,32)33/h2-10,12-14,43H,11H2,1H3,(H,36,41)
InChIKeyULXZTESWZQLBPW-UHFFFAOYSA-N
MW651.55 g/mol
LogP5.07
Rot. Bonds8

About 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 138649649) has the molecular formula C27H19F6N7O4S and a molecular weight of 651.55 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID138649649
Molecular FormulaC27H19F6N7O4S
Molecular Weight651.55 g/mol
Exact Mass651.11
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C(=O)C(O)(C(F)(F)F)C(F)(F)F)nc4-c4ccccn4)cs3)cn2)cc1
InChIInChI=1S/C27H19F6N7O4S/c1-44-17-7-5-15(6-8-17)11-39-12-16(10-35-39)23-37-20(14-45-23)22(41)36-19-13-40(38-21(19)18-4-2-3-9-34-18)24(42)25(43,26(28,29)30)27(31,32)33/h2-10,12-14,43H,11H2,1H3,(H,36,41)
InChIKeyULXZTESWZQLBPW-UHFFFAOYSA-N
XLogP5.07
TPSA137.05 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500651.55
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-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 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 138649649) is 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C(=O)C(O)(C(F)(F)F)C(F)(F)F)nc4-c4ccccn4)cs3)cn2)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ULXZTESWZQLBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F6N7O4S/c1-44-17-7-5-15(6-8-17)11-39-12-16(10-35-39)23-37-20(14-45-23)22(41)36-19-13-40(38-21(19)18-4-2-3-9-34-18)24(42)25(43,26(28,29)30)27(31,32)33/h2-10,12-14,43H,11H2,1H3,(H,36,41).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 651.55 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 138649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).