[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
C66H49Cl3F9N15O6 — CID 87574311
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCc1[nH]ncc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(C2=CNC=NC2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncnc2)CC1
InChIInChI=1S/2C22H17ClF3N5O2.C22H15ClF3N5O2/c1-12-16(9-27-29-12)13-2-5-30(6-3-13)21(32)18-19(23)31-10-15(14-4-7-33-11-14)8-17(20(31)28-18)22(24,25)26;2*23-19-18(21(32)30-4-1-13(2-5-30)16-8-27-12-28-9-16)29-20-17(22(24,25)26)7-15(10-31(19)20)14-3-6-33-11-14/h2,4,7-11H,3,5-6H2,1H3,(H,27,29);1,3,6-8,10-12H,2,4-5,9H2,(H,27,28);1,3,6-12H,2,4-5H2
InChIKeyNICSQZJCLQXXIC-UHFFFAOYSA-N
MW1425.56 g/mol
LogP14.77
Rot. Bonds9
About [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 87574311) has the molecular formula C66H49Cl3F9N15O6 and a molecular weight of 1425.56 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
Molecular Properties
| Compound Name | [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone |
|---|---|
| PubChem CID | 87574311 |
| Molecular Formula | C66H49Cl3F9N15O6 |
| Molecular Weight | 1425.56 g/mol |
| Exact Mass | 1423.29 |
| IUPAC Name | [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone |
| SMILES | Cc1[nH]ncc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(C2=CNC=NC2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncnc2)CC1 |
| InChI | InChI=1S/2C22H17ClF3N5O2.C22H15ClF3N5O2/c1-12-16(9-27-29-12)13-2-5-30(6-3-13)21(32)18-19(23)31-10-15(14-4-7-33-11-14)8-17(20(31)28-18)22(24,25)26;2*23-19-18(21(32)30-4-1-13(2-5-30)16-8-27-12-28-9-16)29-20-17(22(24,25)26)7-15(10-31(19)20)14-3-6-33-11-14/h2,4,7-11H,3,5-6H2,1H3,(H,27,29);1,3,6-8,10-12H,2,4-5,9H2,(H,27,28);1,3,6-12H,2,4-5H2 |
| InChIKey | NICSQZJCLQXXIC-UHFFFAOYSA-N |
| XLogP | 14.77 |
| TPSA | 231.10 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 99 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1425.56 |
| LogP ≤ 5 | 14.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 87574311) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is Cc1[nH]ncc1C1=CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(C2=CNC=NC2)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2cncnc2)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NICSQZJCLQXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17ClF3N5O2.C22H15ClF3N5O2/c1-12-16(9-27-29-12)13-2-5-30(6-3-13)21(32)18-19(23)31-10-15(14-4-7-33-11-14)8-17(20(31)28-18)22(24,25)26;2*23-19-18(21(32)30-4-1-13(2-5-30)16-8-27-12-28-9-16)29-20-17(22(24,25)26)7-15(10-31(19)20)14-3-6-33-11-14/h2,4,7-11H,3,5-6H2,1H3,(H,27,29);1,3,6-8,10-12H,2,4-5,9H2,(H,27,28);1,3,6-12H,2,4-5H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 1425.56 g/mol, XLogP of 14.77, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1,4-dihydropyrimidin-5-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(5-methyl-1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 87574311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 87574311 — identifiers, structure, computed properties (public domain)
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