6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate

C95H76F17N25O5S — CID 158898470

IUPAC6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCc1nc(C)cn1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc(C)cn1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.COC(=O)c1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)n2c1.CSc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Fc1cc2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2cc1F
InChIInChI=1S/C21H14F5N5O3.C21H14F5N5.C19H15F2N5OS.C17H16F3N5.C17H17F2N5O/c1-33-19(32)11-2-7-16-30-18(21(24,25)26)17(31(16)10-11)14-8-27-9-15(29-14)28-12-3-5-13(6-4-12)34-20(22)23;22-14-7-16-17(8-15(14)23)31(20(29-16)11-1-2-11)19-10-27-9-18(30-19)28-13-5-3-12(4-6-13)21(24,25)26;1-28-19-24-14-4-2-3-5-15(14)26(19)17-11-22-10-16(25-17)23-12-6-8-13(9-7-12)27-18(20)21;1-3-15-22-11(2)10-25(15)16-9-21-8-14(24-16)23-13-6-4-12(5-7-13)17(18,19)20;1-3-15-21-11(2)10-24(15)16-9-20-8-14(23-16)22-12-4-6-13(7-5-12)25-17(18)19/h2-10,20H,1H3,(H,28,29);3-11H,1-2H2,(H,28,30);2-11,18H,1H3,(H,23,25);4-10H,3H2,1-2H3,(H,23,24);4-10,17H,3H2,1-2H3,(H,22,23)
InChIKeyJFCZIFHMXQCMDB-UHFFFAOYSA-N
MW2002.86 g/mol
LogP23.73
Rot. Bonds26

About 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate

6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 158898470) has the molecular formula C95H76F17N25O5S and a molecular weight of 2002.86 g/mol. Its IUPAC name is 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID158898470
Molecular FormulaC95H76F17N25O5S
Molecular Weight2002.86 g/mol
Exact Mass2001.59
IUPAC Name6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCc1nc(C)cn1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc(C)cn1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.COC(=O)c1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)n2c1.CSc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Fc1cc2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2cc1F
InChIInChI=1S/C21H14F5N5O3.C21H14F5N5.C19H15F2N5OS.C17H16F3N5.C17H17F2N5O/c1-33-19(32)11-2-7-16-30-18(21(24,25)26)17(31(16)10-11)14-8-27-9-15(29-14)28-12-3-5-13(6-4-12)34-20(22)23;22-14-7-16-17(8-15(14)23)31(20(29-16)11-1-2-11)19-10-27-9-18(30-19)28-13-5-3-12(4-6-13)21(24,25)26;1-28-19-24-14-4-2-3-5-15(14)26(19)17-11-22-10-16(25-17)23-12-6-8-13(9-7-12)27-18(20)21;1-3-15-22-11(2)10-25(15)16-9-21-8-14(24-16)23-13-6-4-12(5-7-13)17(18,19)20;1-3-15-21-11(2)10-24(15)16-9-20-8-14(23-16)22-12-4-6-13(7-5-12)25-17(18)19/h2-10,20H,1H3,(H,28,29);3-11H,1-2H2,(H,28,30);2-11,18H,1H3,(H,23,25);4-10H,3H2,1-2H3,(H,23,24);4-10,17H,3H2,1-2H3,(H,22,23)
InChIKeyJFCZIFHMXQCMDB-UHFFFAOYSA-N
XLogP23.73
TPSA331.62 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.86
LogP ≤ 523.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 158898470) is 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate is CCc1nc(C)cn1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc(C)cn1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.COC(=O)c1ccc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)n2c1.CSc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Fc1cc2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2cc1F.
What is the InChIKey of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is JFCZIFHMXQCMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N5O3.C21H14F5N5.C19H15F2N5OS.C17H16F3N5.C17H17F2N5O/c1-33-19(32)11-2-7-16-30-18(21(24,25)26)17(31(16)10-11)14-8-27-9-15(29-14)28-12-3-5-13(6-4-12)34-20(22)23;22-14-7-16-17(8-15(14)23)31(20(29-16)11-1-2-11)19-10-27-9-18(30-19)28-13-5-3-12(4-6-13)21(24,25)26;1-28-19-24-14-4-2-3-5-15(14)26(19)17-11-22-10-16(25-17)23-12-6-8-13(9-7-12)27-18(20)21;1-3-15-22-11(2)10-25(15)16-9-21-8-14(24-16)23-13-6-4-12(5-7-13)17(18,19)20;1-3-15-21-11(2)10-24(15)16-9-20-8-14(23-16)22-12-4-6-13(7-5-12)25-17(18)19/h2-10,20H,1H3,(H,28,29);3-11H,1-2H2,(H,28,30);2-11,18H,1H3,(H,23,25);4-10H,3H2,1-2H3,(H,23,24);4-10,17H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate?
6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 2002.86 g/mol, XLogP of 23.73, 26 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 158898470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).