4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone
C129H114Cl5F5N22O6 — CID 157101962
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone
SMILESClc1ccc(-c2nc3ccc(C4CCOCC4)cn3c2CN2CCOCC2)cc1.Fc1cccc(F)c1-c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.N#Cc1cccc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.O=C(c1ncc[nH]1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
InChIInChI=1S/C30H24ClF2N5O.C28H25ClN6O.C25H20ClFN4O.C23H19ClF2N4O.C23H26ClN3O2/c31-23-7-4-20(5-8-23)29-26(19-36-14-16-37(17-15-36)30(39)21-10-12-34-13-11-21)38-18-22(6-9-27(38)35-29)28-24(32)2-1-3-25(28)33;29-23-9-6-21(7-10-23)26-24(19-33-14-16-34(17-15-33)28(36)27-30-12-13-31-27)35-18-22(8-11-25(35)32-26)20-4-2-1-3-5-20;26-20-7-4-17(5-8-20)25-22(16-30-10-12-32-13-11-30)31-15-19(6-9-23(31)29-25)24-18(14-28)2-1-3-21(24)27;24-16-6-4-15(5-7-16)23-20(14-29-8-10-31-11-9-29)30-13-19(27-12-21(30)28-23)22-17(25)2-1-3-18(22)26;24-20-4-1-18(2-5-20)23-21(16-26-9-13-29-14-10-26)27-15-19(3-6-22(27)25-23)17-7-11-28-12-8-17/h1-13,18H,14-17,19H2;1-13,18H,14-17,19H2,(H,30,31);1-9,15H,10-13,16H2;1-7,12-13H,8-11,14H2;1-6,15,17H,7-14,16H2
InChIKeyAFWFDENELQFNFP-UHFFFAOYSA-N
MW2340.73 g/mol
LogP25.33
Rot. Bonds22
About 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone
4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone (PubChem CID 157101962) has the molecular formula C129H114Cl5F5N22O6 and a molecular weight of 2340.73 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone.
Molecular Properties
| Compound Name | 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone |
|---|---|
| PubChem CID | 157101962 |
| Molecular Formula | C129H114Cl5F5N22O6 |
| Molecular Weight | 2340.73 g/mol |
| Exact Mass | 2336.77 |
| IUPAC Name | 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone |
| SMILES | Clc1ccc(-c2nc3ccc(C4CCOCC4)cn3c2CN2CCOCC2)cc1.Fc1cccc(F)c1-c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.N#Cc1cccc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.O=C(c1ncc[nH]1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1 |
| InChI | InChI=1S/C30H24ClF2N5O.C28H25ClN6O.C25H20ClFN4O.C23H19ClF2N4O.C23H26ClN3O2/c31-23-7-4-20(5-8-23)29-26(19-36-14-16-37(17-15-36)30(39)21-10-12-34-13-11-21)38-18-22(6-9-27(38)35-29)28-24(32)2-1-3-25(28)33;29-23-9-6-21(7-10-23)26-24(19-33-14-16-34(17-15-33)28(36)27-30-12-13-31-27)35-18-22(8-11-25(35)32-26)20-4-2-1-3-5-20;26-20-7-4-17(5-8-20)25-22(16-30-10-12-32-13-11-30)31-15-19(6-9-23(31)29-25)24-18(14-28)2-1-3-21(24)27;24-16-6-4-15(5-7-16)23-20(14-29-8-10-31-11-9-29)30-13-19(27-12-21(30)28-23)22-17(25)2-1-3-18(22)26;24-20-4-1-18(2-5-20)23-21(16-26-9-13-29-14-10-26)27-15-19(3-6-22(27)25-23)17-7-11-28-12-8-17/h1-13,18H,14-17,19H2;1-13,18H,14-17,19H2,(H,30,31);1-9,15H,10-13,16H2;1-7,12-13H,8-11,14H2;1-6,15,17H,7-14,16H2 |
| InChIKey | AFWFDENELQFNFP-UHFFFAOYSA-N |
| XLogP | 25.33 |
| TPSA | 258.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 167 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2340.73 |
| LogP ≤ 5 | 25.33 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone (CID 157101962) is 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone is Clc1ccc(-c2nc3ccc(C4CCOCC4)cn3c2CN2CCOCC2)cc1.Fc1cccc(F)c1-c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.N#Cc1cccc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.O=C(c1ccncc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4c(F)cccc4F)cn23)CC1.O=C(c1ncc[nH]1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
The InChIKey is AFWFDENELQFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF2N5O.C28H25ClN6O.C25H20ClFN4O.C23H19ClF2N4O.C23H26ClN3O2/c31-23-7-4-20(5-8-23)29-26(19-36-14-16-37(17-15-36)30(39)21-10-12-34-13-11-21)38-18-22(6-9-27(38)35-29)28-24(32)2-1-3-25(28)33;29-23-9-6-21(7-10-23)26-24(19-33-14-16-34(17-15-33)28(36)27-30-12-13-31-27)35-18-22(8-11-25(35)32-26)20-4-2-1-3-5-20;26-20-7-4-17(5-8-20)25-22(16-30-10-12-32-13-11-30)31-15-19(6-9-23(31)29-25)24-18(14-28)2-1-3-21(24)27;24-16-6-4-15(5-7-16)23-20(14-29-8-10-31-11-9-29)30-13-19(27-12-21(30)28-23)22-17(25)2-1-3-18(22)26;24-20-4-1-18(2-5-20)23-21(16-26-9-13-29-14-10-26)27-15-19(3-6-22(27)25-23)17-7-11-28-12-8-17/h1-13,18H,14-17,19H2;1-13,18H,14-17,19H2,(H,30,31);1-9,15H,10-13,16H2;1-7,12-13H,8-11,14H2;1-6,15,17H,7-14,16H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone?
4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone has a molecular weight of 2340.73 g/mol, XLogP of 25.33, 22 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-3-fluorobenzonitrile;4-[[2-(4-chlorophenyl)-6-(oxan-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 157101962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157101962 — identifiers, structure, computed properties (public domain)
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