1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
C80H75Cl3N18O7 — CID 159896651
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12
InChIInChI=1S/C27H25ClN6O3.C27H27ClN6O2.C26H23ClN6O2/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-27(2,36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-16(34)22-8-18(17-2-3-17)11-32-13-21(30-26(22)32)14-33-12-19(10-29-33)25(35)5-4-23-24-9-20(27)6-7-31(24)15-28-23/h7-14,16-17H,2-6,15H2,1H3;7-14,16-17,36H,3-6,15H2,1-2H3;6-13,15,17H,2-5,14H2,1H3
InChIKeyNVKSORXXLBHXDU-UHFFFAOYSA-N
MW1506.96 g/mol
LogP14.33
Rot. Bonds25
About 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 159896651) has the molecular formula C80H75Cl3N18O7 and a molecular weight of 1506.96 g/mol. Its IUPAC name is 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.
Molecular Properties
| Compound Name | 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate |
|---|---|
| PubChem CID | 159896651 |
| Molecular Formula | C80H75Cl3N18O7 |
| Molecular Weight | 1506.96 g/mol |
| Exact Mass | 1504.51 |
| IUPAC Name | 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate |
| SMILES | CC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12 |
| InChI | InChI=1S/C27H25ClN6O3.C27H27ClN6O2.C26H23ClN6O2/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-27(2,36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-16(34)22-8-18(17-2-3-17)11-32-13-21(30-26(22)32)14-33-12-19(10-29-33)25(35)5-4-23-24-9-20(27)6-7-31(24)15-28-23/h7-14,16-17H,2-6,15H2,1H3;7-14,16-17,36H,3-6,15H2,1-2H3;6-13,15,17H,2-5,14H2,1H3 |
| InChIKey | NVKSORXXLBHXDU-UHFFFAOYSA-N |
| XLogP | 14.33 |
| TPSA | 272.07 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 108 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1506.96 |
| LogP ≤ 5 | 14.33 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate (CID 159896651) is 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is CC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CC(C)(O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.CCOC(=O)c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.
What is the InChIKey of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is NVKSORXXLBHXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O3.C27H27ClN6O2.C26H23ClN6O2/c1-2-37-27(36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-27(2,36)22-9-18(17-3-4-17)12-33-14-21(31-26(22)33)15-34-13-19(11-30-34)25(35)6-5-23-24-10-20(28)7-8-32(24)16-29-23;1-16(34)22-8-18(17-2-3-17)11-32-13-21(30-26(22)32)14-33-12-19(10-29-33)25(35)5-4-23-24-9-20(27)6-7-31(24)15-28-23/h7-14,16-17H,2-6,15H2,1H3;7-14,16-17,36H,3-6,15H2,1-2H3;6-13,15,17H,2-5,14H2,1H3.
What are the key properties of 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate?
1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 1506.96 g/mol, XLogP of 14.33, 25 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propan-1-one;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;ethyl 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 159896651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159896651 — identifiers, structure, computed properties (public domain)
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