6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine
C42H37FN8 — CID 155371075
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(-c2ncc(-c3ccc(-c4ncccc4-c4ccc5ncc(N(C)C)n5c4)cc3C)cc2-c2ccc3ncc(N(C)C)n3c2)ccc1F
InChIInChI=1S/C42H37FN8/c1-26-18-28(41-34(8-7-17-44-41)30-11-15-37-45-22-39(48(3)4)50(37)24-30)9-13-33(26)32-20-35(42(47-21-32)29-10-14-36(43)27(2)19-29)31-12-16-38-46-23-40(49(5)6)51(38)25-31/h7-25H,1-6H3
InChIKeyALKFBLCECKKCCO-UHFFFAOYSA-N
MW672.81 g/mol
LogP8.99
Rot. Bonds7
About 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine
6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine (PubChem CID 155371075) has the molecular formula C42H37FN8 and a molecular weight of 672.81 g/mol. Its IUPAC name is 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine.
Molecular Properties
| Compound Name | 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine |
|---|---|
| PubChem CID | 155371075 |
| Molecular Formula | C42H37FN8 |
| Molecular Weight | 672.81 g/mol |
| Exact Mass | 672.31 |
| IUPAC Name | 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine |
| SMILES | Cc1cc(-c2ncc(-c3ccc(-c4ncccc4-c4ccc5ncc(N(C)C)n5c4)cc3C)cc2-c2ccc3ncc(N(C)C)n3c2)ccc1F |
| InChI | InChI=1S/C42H37FN8/c1-26-18-28(41-34(8-7-17-44-41)30-11-15-37-45-22-39(48(3)4)50(37)24-30)9-13-33(26)32-20-35(42(47-21-32)29-10-14-36(43)27(2)19-29)31-12-16-38-46-23-40(49(5)6)51(38)25-31/h7-25H,1-6H3 |
| InChIKey | ALKFBLCECKKCCO-UHFFFAOYSA-N |
| XLogP | 8.99 |
| TPSA | 66.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 51 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 672.81 |
| LogP ≤ 5 | 8.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Frequently Asked Questions
What is the IUPAC name of 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine (CID 155371075) is 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine is Cc1cc(-c2ncc(-c3ccc(-c4ncccc4-c4ccc5ncc(N(C)C)n5c4)cc3C)cc2-c2ccc3ncc(N(C)C)n3c2)ccc1F.
What is the InChIKey of 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is ALKFBLCECKKCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37FN8/c1-26-18-28(41-34(8-7-17-44-41)30-11-15-37-45-22-39(48(3)4)50(37)24-30)9-13-33(26)32-20-35(42(47-21-32)29-10-14-36(43)27(2)19-29)31-12-16-38-46-23-40(49(5)6)51(38)25-31/h7-25H,1-6H3.
What are the key properties of 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine?
6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 672.81 g/mol, XLogP of 8.99, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[5-[3-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 155371075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 155371075 — identifiers, structure, computed properties (public domain)
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