N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
C36H33F3N6O6 — CID 117077607
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccc5nc(C)c(C(=O)NCc6cccc(OC)c6)n5c4)cn23)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C34H32N6O4.C2HF3O2/c1-21-31(33(41)35-17-23-7-5-9-27(15-23)43-3)39-19-25(11-13-29(39)37-21)26-12-14-30-38-22(2)32(40(30)20-26)34(42)36-18-24-8-6-10-28(16-24)44-4;3-2(4,5)1(6)7/h5-16,19-20H,17-18H2,1-4H3,(H,35,41)(H,36,42);(H,6,7)
InChIKeyNGGDBCGVLXXEEL-UHFFFAOYSA-N
MW702.69 g/mol
LogP5.78
Rot. Bonds9
About N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117077607) has the molecular formula C36H33F3N6O6 and a molecular weight of 702.69 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
Molecular Properties
| Compound Name | N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid |
|---|---|
| PubChem CID | 117077607 |
| Molecular Formula | C36H33F3N6O6 |
| Molecular Weight | 702.69 g/mol |
| Exact Mass | 702.24 |
| IUPAC Name | N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid |
| SMILES | COc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccc5nc(C)c(C(=O)NCc6cccc(OC)c6)n5c4)cn23)c1.O=C(O)C(F)(F)F |
| InChI | InChI=1S/C34H32N6O4.C2HF3O2/c1-21-31(33(41)35-17-23-7-5-9-27(15-23)43-3)39-19-25(11-13-29(39)37-21)26-12-14-30-38-22(2)32(40(30)20-26)34(42)36-18-24-8-6-10-28(16-24)44-4;3-2(4,5)1(6)7/h5-16,19-20H,17-18H2,1-4H3,(H,35,41)(H,36,42);(H,6,7) |
| InChIKey | NGGDBCGVLXXEEL-UHFFFAOYSA-N |
| XLogP | 5.78 |
| TPSA | 148.56 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 51 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 702.69 |
| LogP ≤ 5 | 5.78 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Frequently Asked Questions
What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 117077607) is N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc(CNC(=O)c2c(C)nc3ccc(-c4ccc5nc(C)c(C(=O)NCc6cccc(OC)c6)n5c4)cn23)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NGGDBCGVLXXEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O4.C2HF3O2/c1-21-31(33(41)35-17-23-7-5-9-27(15-23)43-3)39-19-25(11-13-29(39)37-21)26-12-14-30-38-22(2)32(40(30)20-26)34(42)36-18-24-8-6-10-28(16-24)44-4;3-2(4,5)1(6)7/h5-16,19-20H,17-18H2,1-4H3,(H,35,41)(H,36,42);(H,6,7).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 702.69 g/mol, XLogP of 5.78, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-[3-[(3-methoxyphenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117077607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 117077607 — identifiers, structure, computed properties (public domain)
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