2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
C122H134F3N29O9 — CID 159904961
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)c1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CCOc1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CN1CCN(CCOc2ccn3c(C(=O)Cc4cccc5c4cnn5Cc4ccc(C(F)(F)F)nc4)cnc3c2)CC1.Cc1cccc(Cn2ncc3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C32H37N7O2.C31H35N7O3.C30H30F3N7O2.C29H32N8O2/c1-23(2)28-8-5-7-25(35-28)22-39-29-9-4-6-24(27(29)20-34-39)18-31(40)30-21-33-32-19-26(10-11-38(30)32)41-17-16-37-14-12-36(3)13-15-37;1-3-40-31-9-5-7-24(34-31)22-38-27-8-4-6-23(26(27)20-33-38)18-29(39)28-21-32-30-19-25(10-11-37(28)30)41-17-16-36-14-12-35(2)13-15-36;1-37-9-11-38(12-10-37)13-14-42-23-7-8-39-26(19-35-29(39)16-23)27(41)15-22-3-2-4-25-24(22)18-36-40(25)20-21-5-6-28(34-17-21)30(31,32)33;1-21-5-3-6-22(32-21)20-37-26-8-4-7-25(24(26)18-31-37)33-29(38)27-19-30-28-17-23(9-10-36(27)28)39-16-15-35-13-11-34(2)12-14-35/h4-11,19-21,23H,12-18,22H2,1-3H3;4-11,19-21H,3,12-18,22H2,1-2H3;2-8,16-19H,9-15,20H2,1H3;3-10,17-19H,11-16,20H2,1-2H3,(H,33,38)
InChIKeyNWLJEZCSBOIBJX-UHFFFAOYSA-N
MW2207.60 g/mol
LogP15.39
Rot. Bonds38
About 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 159904961) has the molecular formula C122H134F3N29O9 and a molecular weight of 2207.60 g/mol. Its IUPAC name is 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159904961 |
| Molecular Formula | C122H134F3N29O9 |
| Molecular Weight | 2207.60 g/mol |
| Exact Mass | 2206.09 |
| IUPAC Name | 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide |
| SMILES | CC(C)c1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CCOc1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CN1CCN(CCOc2ccn3c(C(=O)Cc4cccc5c4cnn5Cc4ccc(C(F)(F)F)nc4)cnc3c2)CC1.Cc1cccc(Cn2ncc3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1 |
| InChI | InChI=1S/C32H37N7O2.C31H35N7O3.C30H30F3N7O2.C29H32N8O2/c1-23(2)28-8-5-7-25(35-28)22-39-29-9-4-6-24(27(29)20-34-39)18-31(40)30-21-33-32-19-26(10-11-38(30)32)41-17-16-37-14-12-36(3)13-15-37;1-3-40-31-9-5-7-24(34-31)22-38-27-8-4-6-23(26(27)20-33-38)18-29(39)28-21-32-30-19-25(10-11-37(28)30)41-17-16-36-14-12-35(2)13-15-36;1-37-9-11-38(12-10-37)13-14-42-23-7-8-39-26(19-35-29(39)16-23)27(41)15-22-3-2-4-25-24(22)18-36-40(25)20-21-5-6-28(34-17-21)30(31,32)33;1-21-5-3-6-22(32-21)20-37-26-8-4-7-25(24(26)18-31-37)33-29(38)27-19-30-28-17-23(9-10-36(27)28)39-16-15-35-13-11-34(2)12-14-35/h4-11,19-21,23H,12-18,22H2,1-3H3;4-11,19-21H,3,12-18,22H2,1-2H3;2-8,16-19H,9-15,20H2,1H3;3-10,17-19H,11-16,20H2,1-2H3,(H,33,38) |
| InChIKey | NWLJEZCSBOIBJX-UHFFFAOYSA-N |
| XLogP | 15.39 |
| TPSA | 344.42 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 163 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2207.60 |
| LogP ≤ 5 | 15.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 37 |
Frequently Asked Questions
What is the IUPAC name of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 159904961) is 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)c1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CCOc1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CN1CCN(CCOc2ccn3c(C(=O)Cc4cccc5c4cnn5Cc4ccc(C(F)(F)F)nc4)cnc3c2)CC1.Cc1cccc(Cn2ncc3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.
What is the InChIKey of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NWLJEZCSBOIBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2.C31H35N7O3.C30H30F3N7O2.C29H32N8O2/c1-23(2)28-8-5-7-25(35-28)22-39-29-9-4-6-24(27(29)20-34-39)18-31(40)30-21-33-32-19-26(10-11-38(30)32)41-17-16-37-14-12-36(3)13-15-37;1-3-40-31-9-5-7-24(34-31)22-38-27-8-4-6-23(26(27)20-33-38)18-29(39)28-21-32-30-19-25(10-11-37(28)30)41-17-16-36-14-12-35(2)13-15-36;1-37-9-11-38(12-10-37)13-14-42-23-7-8-39-26(19-35-29(39)16-23)27(41)15-22-3-2-4-25-24(22)18-36-40(25)20-21-5-6-28(34-17-21)30(31,32)33;1-21-5-3-6-22(32-21)20-37-26-8-4-7-25(24(26)18-31-37)33-29(38)27-19-30-28-17-23(9-10-36(27)28)39-16-15-35-13-11-34(2)12-14-35/h4-11,19-21,23H,12-18,22H2,1-3H3;4-11,19-21H,3,12-18,22H2,1-2H3;2-8,16-19H,9-15,20H2,1H3;3-10,17-19H,11-16,20H2,1-2H3,(H,33,38).
What are the key properties of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 2207.60 g/mol, XLogP of 15.39, 38 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 159904961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159904961 — identifiers, structure, computed properties (public domain)
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