N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine
C92H68F19N27O3 — CID 159047998
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine
SMILESCCc1nc2ncccc2n1-c1cccc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cccc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.FC(F)(F)Oc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.FC(F)Oc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1
InChIInChI=1S/C20H16F3N5.C19H14F3N5.C18H10F6N6O.C18H11F5N6O.C17H17F2N5O/c1-2-17-27-19-15(5-4-12-24-19)28(17)18-7-3-6-16(26-18)25-14-10-8-13(9-11-14)20(21,22)23;1-12-24-18-15(4-3-11-23-18)27(12)17-6-2-5-16(26-17)25-14-9-7-13(8-10-14)19(20,21)22;19-17(20,21)16-15(30-6-5-25-9-14(30)29-16)12-7-26-8-13(28-12)27-10-1-3-11(4-2-10)31-18(22,23)24;19-17(20)30-11-3-1-10(2-4-11)26-13-8-25-7-12(27-13)15-16(18(21,22)23)28-14-9-24-5-6-29(14)15;1-10-16(11(2)24(3)23-10)14-8-20-9-15(22-14)21-12-4-6-13(7-5-12)25-17(18)19/h3-12H,2H2,1H3,(H,25,26);2-11H,1H3,(H,25,26);1-9H,(H,27,28);1-9,17H,(H,26,27);4-9,17H,1-3H3,(H,21,22)
InChIKeyJWWZSOUUYPINJB-UHFFFAOYSA-N
MW1960.70 g/mol
LogP23.26
Rot. Bonds21
About N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine
N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine (PubChem CID 159047998) has the molecular formula C92H68F19N27O3 and a molecular weight of 1960.70 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine.
Molecular Properties
| Compound Name | N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine |
|---|---|
| PubChem CID | 159047998 |
| Molecular Formula | C92H68F19N27O3 |
| Molecular Weight | 1960.70 g/mol |
| Exact Mass | 1959.57 |
| IUPAC Name | N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine |
| SMILES | CCc1nc2ncccc2n1-c1cccc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cccc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.FC(F)(F)Oc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.FC(F)Oc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1 |
| InChI | InChI=1S/C20H16F3N5.C19H14F3N5.C18H10F6N6O.C18H11F5N6O.C17H17F2N5O/c1-2-17-27-19-15(5-4-12-24-19)28(17)18-7-3-6-16(26-18)25-14-10-8-13(9-11-14)20(21,22)23;1-12-24-18-15(4-3-11-23-18)27(12)17-6-2-5-16(26-17)25-14-9-7-13(8-10-14)19(20,21)22;19-17(20,21)16-15(30-6-5-25-9-14(30)29-16)12-7-26-8-13(28-12)27-10-1-3-11(4-2-10)31-18(22,23)24;19-17(20)30-11-3-1-10(2-4-11)26-13-8-25-7-12(27-13)15-16(18(21,22)23)28-14-9-24-5-6-29(14)15;1-10-16(11(2)24(3)23-10)14-8-20-9-15(22-14)21-12-4-6-13(7-5-12)25-17(18)19/h3-12H,2H2,1H3,(H,25,26);2-11H,1H3,(H,25,26);1-9H,(H,27,28);1-9,17H,(H,26,27);4-9,17H,1-3H3,(H,21,22) |
| InChIKey | JWWZSOUUYPINJB-UHFFFAOYSA-N |
| XLogP | 23.26 |
| TPSA | 330.58 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 141 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1960.70 |
| LogP ≤ 5 | 23.26 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine (CID 159047998) is N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine is CCc1nc2ncccc2n1-c1cccc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cccc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn(C)c(C)c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.FC(F)(F)Oc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.FC(F)Oc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine?
The InChIKey is JWWZSOUUYPINJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5.C19H14F3N5.C18H10F6N6O.C18H11F5N6O.C17H17F2N5O/c1-2-17-27-19-15(5-4-12-24-19)28(17)18-7-3-6-16(26-18)25-14-10-8-13(9-11-14)20(21,22)23;1-12-24-18-15(4-3-11-23-18)27(12)17-6-2-5-16(26-17)25-14-9-7-13(8-10-14)19(20,21)22;19-17(20,21)16-15(30-6-5-25-9-14(30)29-16)12-7-26-8-13(28-12)27-10-1-3-11(4-2-10)31-18(22,23)24;19-17(20)30-11-3-1-10(2-4-11)26-13-8-25-7-12(27-13)15-16(18(21,22)23)28-14-9-24-5-6-29(14)15;1-10-16(11(2)24(3)23-10)14-8-20-9-15(22-14)21-12-4-6-13(7-5-12)25-17(18)19/h3-12H,2H2,1H3,(H,25,26);2-11H,1H3,(H,25,26);1-9H,(H,27,28);1-9,17H,(H,26,27);4-9,17H,1-3H3,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine?
N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine has a molecular weight of 1960.70 g/mol, XLogP of 23.26, 21 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 159047998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159047998 — identifiers, structure, computed properties (public domain)
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