[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
C88H96Cl8N20O4 — CID 159945777
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.CCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCN(C(=O)C4CC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(N3CCN(C(=O)C4CCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H25Cl2N5O.C22H23Cl2N5O.C22H25Cl2N5O.C21H23Cl2N5O/c24-17-4-5-18(20(25)11-17)19-14-30-21(10-16(19)12-26)27-13-22(30)28-6-8-29(9-7-28)23(31)15-2-1-3-15;23-16-3-4-17(19(24)10-16)18-13-29-20(9-15(18)11-25)26-12-21(29)27-5-7-28(8-6-27)22(30)14-1-2-14;1-14(2)22(30)28-7-5-27(6-8-28)21-12-26-20-9-15(11-25)18(13-29(20)21)17-4-3-16(23)10-19(17)24;1-2-21(29)27-7-5-26(6-8-27)20-12-25-19-9-14(11-24)17(13-28(19)20)16-4-3-15(22)10-18(16)23/h4-5,10-11,13-15H,1-3,6-9,12,26H2;3-4,9-10,12-14H,1-2,5-8,11,25H2;3-4,9-10,12-14H,5-8,11,25H2,1-2H3;3-4,9-10,12-13H,2,5-8,11,24H2,1H3
InChIKeyOBLRRURWLNINTE-UHFFFAOYSA-N
MW1781.50 g/mol
LogP15.94
Rot. Bonds16
About [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 159945777) has the molecular formula C88H96Cl8N20O4 and a molecular weight of 1781.50 g/mol. Its IUPAC name is [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.
Molecular Properties
| Compound Name | [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one |
|---|---|
| PubChem CID | 159945777 |
| Molecular Formula | C88H96Cl8N20O4 |
| Molecular Weight | 1781.50 g/mol |
| Exact Mass | 1776.54 |
| IUPAC Name | [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one |
| SMILES | CC(C)C(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.CCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCN(C(=O)C4CC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(N3CCN(C(=O)C4CCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl |
| InChI | InChI=1S/C23H25Cl2N5O.C22H23Cl2N5O.C22H25Cl2N5O.C21H23Cl2N5O/c24-17-4-5-18(20(25)11-17)19-14-30-21(10-16(19)12-26)27-13-22(30)28-6-8-29(9-7-28)23(31)15-2-1-3-15;23-16-3-4-17(19(24)10-16)18-13-29-20(9-15(18)11-25)26-12-21(29)27-5-7-28(8-6-27)22(30)14-1-2-14;1-14(2)22(30)28-7-5-27(6-8-28)21-12-26-20-9-15(11-25)18(13-29(20)21)17-4-3-16(23)10-19(17)24;1-2-21(29)27-7-5-26(6-8-27)20-12-25-19-9-14(11-24)17(13-28(19)20)16-4-3-15(22)10-18(16)23/h4-5,10-11,13-15H,1-3,6-9,12,26H2;3-4,9-10,12-14H,1-2,5-8,11,25H2;3-4,9-10,12-14H,5-8,11,25H2,1-2H3;3-4,9-10,12-13H,2,5-8,11,24H2,1H3 |
| InChIKey | OBLRRURWLNINTE-UHFFFAOYSA-N |
| XLogP | 15.94 |
| TPSA | 267.48 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 120 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1781.50 |
| LogP ≤ 5 | 15.94 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one (CID 159945777) is [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.CCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1.NCc1cc2ncc(N3CCN(C(=O)C4CC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.NCc1cc2ncc(N3CCN(C(=O)C4CCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is OBLRRURWLNINTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O.C22H23Cl2N5O.C22H25Cl2N5O.C21H23Cl2N5O/c24-17-4-5-18(20(25)11-17)19-14-30-21(10-16(19)12-26)27-13-22(30)28-6-8-29(9-7-28)23(31)15-2-1-3-15;23-16-3-4-17(19(24)10-16)18-13-29-20(9-15(18)11-25)26-12-21(29)27-5-7-28(8-6-27)22(30)14-1-2-14;1-14(2)22(30)28-7-5-27(6-8-28)21-12-26-20-9-15(11-25)18(13-29(20)21)17-4-3-16(23)10-19(17)24;1-2-21(29)27-7-5-26(6-8-27)20-12-25-19-9-14(11-24)17(13-28(19)20)16-4-3-15(22)10-18(16)23/h4-5,10-11,13-15H,1-3,6-9,12,26H2;3-4,9-10,12-14H,1-2,5-8,11,25H2;3-4,9-10,12-14H,5-8,11,25H2,1-2H3;3-4,9-10,12-13H,2,5-8,11,24H2,1H3.
What are the key properties of [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one?
[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 1781.50 g/mol, XLogP of 15.94, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclobutylmethanone;[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-cyclopropylmethanone;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]-2-methylpropan-1-one;1-[4-[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 159945777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159945777 — identifiers, structure, computed properties (public domain)
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