N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
C74H55Cl2F12N19O4S — CID 157499824
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnn1
InChIInChI=1S/C20H13F3N6OS.C20H14F3N5O.C18H16ClF3N4O.C16H12ClF3N4O/c1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-28-17-6-2-1-4-15(17)18(27-28)25-19(29)16-5-3-11-24-26-16;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-9(25)22-15-14-12(17)6-21-7-13(14)24(23-15)8-10-2-4-11(5-3-10)16(18,19)20/h2-6,8,10H,9H2,1H3,(H,27,28,30);1-11H,12H2,(H,25,27,29);3-8,10H,9H2,1-2H3,(H,24,25,27);2-7H,8H2,1H3,(H,22,23,25)
InChIKeyBYGUTXZMQWNPBA-UHFFFAOYSA-N
MW1605.33 g/mol
LogP17.39
Rot. Bonds15
About N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 157499824) has the molecular formula C74H55Cl2F12N19O4S and a molecular weight of 1605.33 g/mol. Its IUPAC name is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
Molecular Properties
| Compound Name | N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
|---|---|
| PubChem CID | 157499824 |
| Molecular Formula | C74H55Cl2F12N19O4S |
| Molecular Weight | 1605.33 g/mol |
| Exact Mass | 1603.36 |
| IUPAC Name | N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
| SMILES | CC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnn1 |
| InChI | InChI=1S/C20H13F3N6OS.C20H14F3N5O.C18H16ClF3N4O.C16H12ClF3N4O/c1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-28-17-6-2-1-4-15(17)18(27-28)25-19(29)16-5-3-11-24-26-16;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-9(25)22-15-14-12(17)6-21-7-13(14)24(23-15)8-10-2-4-11(5-3-10)16(18,19)20/h2-6,8,10H,9H2,1H3,(H,27,28,30);1-11H,12H2,(H,25,27,29);3-8,10H,9H2,1-2H3,(H,24,25,27);2-7H,8H2,1H3,(H,22,23,25) |
| InChIKey | BYGUTXZMQWNPBA-UHFFFAOYSA-N |
| XLogP | 17.39 |
| TPSA | 288.81 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 112 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1605.33 |
| LogP ≤ 5 | 17.39 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 157499824) is N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is CC(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.CC(C)C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnn1.
What is the InChIKey of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is BYGUTXZMQWNPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6OS.C20H14F3N5O.C18H16ClF3N4O.C16H12ClF3N4O/c1-11-17(31-10-26-11)19(30)27-18-14-6-12(7-24)2-4-15(14)29(28-18)9-13-3-5-16(25-8-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-28-17-6-2-1-4-15(17)18(27-28)25-19(29)16-5-3-11-24-26-16;1-10(2)17(27)24-16-15-13(19)7-23-8-14(15)26(25-16)9-11-3-5-12(6-4-11)18(20,21)22;1-9(25)22-15-14-12(17)6-21-7-13(14)24(23-15)8-10-2-4-11(5-3-10)16(18,19)20/h2-6,8,10H,9H2,1H3,(H,27,28,30);1-11H,12H2,(H,25,27,29);3-8,10H,9H2,1-2H3,(H,24,25,27);2-7H,8H2,1H3,(H,22,23,25).
What are the key properties of N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1605.33 g/mol, XLogP of 17.39, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylpropanamide;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 157499824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157499824 — identifiers, structure, computed properties (public domain)
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