bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)

C108H94F12N30O16S4 — CID 167630529

About bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)

bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide) (PubChem CID 167630529) has the molecular formula C108H94F12N30O16S4 and a molecular weight of 2424.38 g/mol. Its IUPAC name is bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide).

Molecular Properties

• Compound Name: bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)
• PubChem CID: 167630529
• Molecular Formula: C108H94F12N30O16S4
• Molecular Weight: 2424.38 g/mol
• Exact Mass: 2422.62
• IUPAC Name: bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)
• SMILES: COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C(=O)N(C)C)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C(=O)N(C)C)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(O)(C(F)(F)F)C(F)(F)F)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(O)(C(F)(F)F)C(F)(F)F)nc4-c4ccccn4)cs3)cn2)cc1.O=CO.O=CO
• InChI: InChI=1S/2C27H21F6N7O3S.2C26H24N8O3S.2CH2O2/c2*1-43-18-7-5-16(6-8-18)11-39-12-17(10-35-39)24-37-21(14-44-24)23(41)36-20-13-40(38-22(20)19-4-2-3-9-34-19)15-25(42,26(28,29)30)27(31,32)33;2*1-32(2)26(36)34-15-21(23(31-34)20-6-4-5-11-27-20)29-24(35)22-16-38-25(30-22)18-12-28-33(14-18)13-17-7-9-19(37-3)10-8-17;2*2-1-3/h2*2-10,12-14,42H,11,15H2,1H3,(H,36,41);2*4-12,14-16H,13H2,1-3H3,(H,29,35);2*1H,(H,2,3)
• InChIKey: NSOCWGMPUXCHFO-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 554.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2424.38
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)?

The IUPAC name of bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide) (CID 167630529) is bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide).

What is the SMILES notation for bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)?

The canonical SMILES for bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide) is COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C(=O)N(C)C)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(C(=O)N(C)C)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(O)(C(F)(F)F)C(F)(F)F)nc4-c4ccccn4)cs3)cn2)cc1.COc1ccc(Cn2cc(-c3nc(C(=O)Nc4cn(CC(O)(C(F)(F)F)C(F)(F)F)nc4-c4ccccn4)cs3)cn2)cc1.O=CO.O=CO.

What is the InChIKey of bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)?

The InChIKey is NSOCWGMPUXCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21F6N7O3S.2C26H24N8O3S.2CH2O2/c2*1-43-18-7-5-16(6-8-18)11-39-12-17(10-35-39)24-37-21(14-44-24)23(41)36-20-13-40(38-22(20)19-4-2-3-9-34-19)15-25(42,26(28,29)30)27(31,32)33;2*1-32(2)26(36)34-15-21(23(31-34)20-6-4-5-11-27-20)29-24(35)22-16-38-25(30-22)18-12-28-33(14-18)13-17-7-9-19(37-3)10-8-17;2*2-1-3/h2*2-10,12-14,42H,11,15H2,1H3,(H,36,41);2*4-12,14-16H,13H2,1-3H3,(H,29,35);2*1H,(H,2,3).

What are the key properties of bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide)?

bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide) has a molecular weight of 2424.38 g/mol, XLogP of 18.47, 32 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[1-(dimethylcarbamoyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide);formic acid;bis(2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-[3-pyridin-2-yl-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide) is sourced from PubChem (CID 167630529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).