1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine
C99H103Cl4N17O3 — CID 158854648
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.CCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.NC1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1
InChIInChI=1S/C27H26ClN5O.C25H25ClN4.C24H27ClN4O.C23H25ClN4O/c28-23-6-3-20(4-7-23)26-24(33-17-22(19-1-2-19)5-8-25(33)30-26)18-31-13-15-32(16-14-31)27(34)21-9-11-29-12-10-21;26-21-9-6-19(7-10-21)25-23(17-29-14-12-22(27)13-15-29)30-16-20(8-11-24(30)28-25)18-4-2-1-3-5-18;1-2-23(30)28-13-11-27(12-14-28)16-21-24(18-5-8-20(25)9-6-18)26-22-10-7-19(15-29(21)22)17-3-4-17;1-16(29)27-12-10-26(11-13-27)15-21-23(18-4-7-20(24)8-5-18)25-22-9-6-19(14-28(21)22)17-2-3-17/h3-12,17,19H,1-2,13-16,18H2;1-11,16,22H,12-15,17,27H2;5-10,15,17H,2-4,11-14,16H2,1H3;4-9,14,17H,2-3,10-13,15H2,1H3
InChIKeyIZWVLLGNPMYNRK-UHFFFAOYSA-N
MW1720.84 g/mol
LogP18.91
Rot. Bonds18
About 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine
1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine (PubChem CID 158854648) has the molecular formula C99H103Cl4N17O3 and a molecular weight of 1720.84 g/mol. Its IUPAC name is 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine.
Molecular Properties
| Compound Name | 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine |
|---|---|
| PubChem CID | 158854648 |
| Molecular Formula | C99H103Cl4N17O3 |
| Molecular Weight | 1720.84 g/mol |
| Exact Mass | 1717.72 |
| IUPAC Name | 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine |
| SMILES | CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.CCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.NC1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1 |
| InChI | InChI=1S/C27H26ClN5O.C25H25ClN4.C24H27ClN4O.C23H25ClN4O/c28-23-6-3-20(4-7-23)26-24(33-17-22(19-1-2-19)5-8-25(33)30-26)18-31-13-15-32(16-14-31)27(34)21-9-11-29-12-10-21;26-21-9-6-19(7-10-21)25-23(17-29-14-12-22(27)13-15-29)30-16-20(8-11-24(30)28-25)18-4-2-1-3-5-18;1-2-23(30)28-13-11-27(12-14-28)16-21-24(18-5-8-20(25)9-6-18)26-22-10-7-19(15-29(21)22)17-3-4-17;1-16(29)27-12-10-26(11-13-27)15-21-23(18-4-7-20(24)8-5-18)25-22-9-6-19(14-28(21)22)17-2-3-17/h3-12,17,19H,1-2,13-16,18H2;1-11,16,22H,12-15,17,27H2;5-10,15,17H,2-4,11-14,16H2,1H3;4-9,14,17H,2-3,10-13,15H2,1H3 |
| InChIKey | IZWVLLGNPMYNRK-UHFFFAOYSA-N |
| XLogP | 18.91 |
| TPSA | 182.00 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 123 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1720.84 |
| LogP ≤ 5 | 18.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine (CID 158854648) is 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.CCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.NC1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.
What is the InChIKey of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine?
The InChIKey is IZWVLLGNPMYNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O.C25H25ClN4.C24H27ClN4O.C23H25ClN4O/c28-23-6-3-20(4-7-23)26-24(33-17-22(19-1-2-19)5-8-25(33)30-26)18-31-13-15-32(16-14-31)27(34)21-9-11-29-12-10-21;26-21-9-6-19(7-10-21)25-23(17-29-14-12-22(27)13-15-29)30-16-20(8-11-24(30)28-25)18-4-2-1-3-5-18;1-2-23(30)28-13-11-27(12-14-28)16-21-24(18-5-8-20(25)9-6-18)26-22-10-7-19(15-29(21)22)17-3-4-17;1-16(29)27-12-10-26(11-13-27)15-21-23(18-4-7-20(24)8-5-18)25-22-9-6-19(14-28(21)22)17-2-3-17/h3-12,17,19H,1-2,13-16,18H2;1-11,16,22H,12-15,17,27H2;5-10,15,17H,2-4,11-14,16H2,1H3;4-9,14,17H,2-3,10-13,15H2,1H3.
What are the key properties of 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine?
1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine has a molecular weight of 1720.84 g/mol, XLogP of 18.91, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone;1-[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 158854648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158854648 — identifiers, structure, computed properties (public domain)
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