1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
C77H72Cl3N21O7 — CID 159613718
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C26H24ClN7O3.C26H26ClN7O2.C25H22ClN7O2/c1-2-37-26(36)21-7-17(16-3-4-16)11-33-13-20(31-24(21)33)14-34-12-18(9-30-34)25(35)28-10-22-23-8-19(27)5-6-32(23)15-29-22;1-26(2,36)21-7-17(16-3-4-16)11-33-13-20(31-24(21)33)14-34-12-18(9-30-34)25(35)28-10-22-23-8-19(27)5-6-32(23)15-29-22;1-15(34)21-6-17(16-2-3-16)10-32-12-20(30-24(21)32)13-33-11-18(8-29-33)25(35)27-9-22-23-7-19(26)4-5-31(23)14-28-22/h5-9,11-13,15-16H,2-4,10,14H2,1H3,(H,28,35);5-9,11-13,15-16,36H,3-4,10,14H2,1-2H3,(H,28,35);4-8,10-12,14,16H,2-3,9,13H2,1H3,(H,27,35)
InChIKeyMNAHYUXAICGPPR-UHFFFAOYSA-N
MW1509.92 g/mol
LogP11.67
Rot. Bonds22
About 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 159613718) has the molecular formula C77H72Cl3N21O7 and a molecular weight of 1509.92 g/mol. Its IUPAC name is 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.
Molecular Properties
| Compound Name | 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate |
|---|---|
| PubChem CID | 159613718 |
| Molecular Formula | C77H72Cl3N21O7 |
| Molecular Weight | 1509.92 g/mol |
| Exact Mass | 1507.50 |
| IUPAC Name | 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate |
| SMILES | CC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12 |
| InChI | InChI=1S/C26H24ClN7O3.C26H26ClN7O2.C25H22ClN7O2/c1-2-37-26(36)21-7-17(16-3-4-16)11-33-13-20(31-24(21)33)14-34-12-18(9-30-34)25(35)28-10-22-23-8-19(27)5-6-32(23)15-29-22;1-26(2,36)21-7-17(16-3-4-16)11-33-13-20(31-24(21)33)14-34-12-18(9-30-34)25(35)28-10-22-23-8-19(27)5-6-32(23)15-29-22;1-15(34)21-6-17(16-2-3-16)10-32-12-20(30-24(21)32)13-33-11-18(8-29-33)25(35)27-9-22-23-7-19(26)4-5-31(23)14-28-22/h5-9,11-13,15-16H,2-4,10,14H2,1H3,(H,28,35);5-9,11-13,15-16,36H,3-4,10,14H2,1-2H3,(H,28,35);4-8,10-12,14,16H,2-3,9,13H2,1H3,(H,27,35) |
| InChIKey | MNAHYUXAICGPPR-UHFFFAOYSA-N |
| XLogP | 11.67 |
| TPSA | 308.16 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 108 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1509.92 |
| LogP ≤ 5 | 11.67 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (CID 159613718) is 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is CC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)nc12.
What is the InChIKey of 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is MNAHYUXAICGPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O3.C26H26ClN7O2.C25H22ClN7O2/c1-2-37-26(36)21-7-17(16-3-4-16)11-33-13-20(31-24(21)33)14-34-12-18(9-30-34)25(35)28-10-22-23-8-19(27)5-6-32(23)15-29-22;1-26(2,36)21-7-17(16-3-4-16)11-33-13-20(31-24(21)33)14-34-12-18(9-30-34)25(35)28-10-22-23-8-19(27)5-6-32(23)15-29-22;1-15(34)21-6-17(16-2-3-16)10-32-12-20(30-24(21)32)13-33-11-18(8-29-33)25(35)27-9-22-23-7-19(26)4-5-31(23)14-28-22/h5-9,11-13,15-16H,2-4,10,14H2,1H3,(H,28,35);5-9,11-13,15-16,36H,3-4,10,14H2,1-2H3,(H,28,35);4-8,10-12,14,16H,2-3,9,13H2,1H3,(H,27,35).
What are the key properties of 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 1509.92 g/mol, XLogP of 11.67, 22 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 159613718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159613718 — identifiers, structure, computed properties (public domain)
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