About N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164614015) has the molecular formula C27H21F3N6O2
and a molecular weight of 518.50 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide |
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| PubChem CID | 164614015 |
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| Molecular Formula | C27H21F3N6O2 |
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| Molecular Weight | 518.50 g/mol |
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| Exact Mass | 518.17 |
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| IUPAC Name | N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide |
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| SMILES | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)cc(C(F)(F)F)c2)cn1 |
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| InChI | InChI=1S/C27H21F3N6O2/c1-16-6-7-18(9-22(16)34-26(38)23-13-31-24-5-3-4-8-36(23)24)25(37)33-20-10-19(27(28,29)30)11-21(12-20)35-14-17(2)32-15-35/h3-15H,1-2H3,(H,33,37)(H,34,38) |
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| InChIKey | CKUUSFMZVFVTFH-UHFFFAOYSA-N |
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| XLogP | 5.66 |
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| TPSA | 93.32 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 518.50 |
| LogP ≤ 5 | 5.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 164614015) is N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CKUUSFMZVFVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N6O2/c1-16-6-7-18(9-22(16)34-26(38)23-13-31-24-5-3-4-8-36(23)24)25(37)33-20-10-19(27(28,29)30)11-21(12-20)35-14-17(2)32-15-35/h3-15H,1-2H3,(H,33,37)(H,34,38).
What are the key properties of N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164614015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).