N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine

C95H74ClF18N25O — CID 159631202

IUPACN-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCOC1CCc2nc(C)c(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)n2C1.Cc1cc(Nc2cncc(-n3c(C)nc4ccccc43)n2)ccc1C(F)(F)F.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(Cl)nc2)n1.FC(F)(F)c1ccc(Nc2cncc(-c3cccc4[nH]ccc34)n2)cc1.FC1CCc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)n2C1
InChIInChI=1S/C20H20F3N5O.C20H16F3N5.C19H14F7N5.C19H13F3N4.C17H11ClF2N6/c1-12-19(28-11-15(29-2)7-8-18(28)25-12)16-9-24-10-17(27-16)26-14-5-3-13(4-6-14)20(21,22)23;1-12-9-14(7-8-15(12)20(21,22)23)26-18-10-24-11-19(27-18)28-13(2)25-16-5-3-4-6-17(16)28;20-11-3-6-15-30-17(19(24,25)26)16(31(15)9-11)13-7-27-8-14(29-13)28-12-4-1-10(2-5-12)18(21,22)23;20-19(21,22)12-4-6-13(7-5-12)25-18-11-23-10-17(26-18)14-2-1-3-16-15(14)8-9-24-16;1-9-23-13-4-11(19)12(20)5-14(13)26(9)17-8-21-7-16(25-17)24-10-2-3-15(18)22-6-10/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,26,27);3-11H,1-2H3,(H,26,27);1-2,4-5,7-8,11H,3,6,9H2,(H,28,29);1-11,24H,(H,25,26);2-8H,1H3,(H,24,25)
InChIKeyMPDODBXQJTUKOX-UHFFFAOYSA-N
MW1959.23 g/mol
LogP24.55
Rot. Bonds16

About N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine

N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 159631202) has the molecular formula C95H74ClF18N25O and a molecular weight of 1959.23 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID159631202
Molecular FormulaC95H74ClF18N25O
Molecular Weight1959.23 g/mol
Exact Mass1957.59
IUPAC NameN-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCOC1CCc2nc(C)c(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)n2C1.Cc1cc(Nc2cncc(-n3c(C)nc4ccccc43)n2)ccc1C(F)(F)F.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(Cl)nc2)n1.FC(F)(F)c1ccc(Nc2cncc(-c3cccc4[nH]ccc34)n2)cc1.FC1CCc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)n2C1
InChIInChI=1S/C20H20F3N5O.C20H16F3N5.C19H14F7N5.C19H13F3N4.C17H11ClF2N6/c1-12-19(28-11-15(29-2)7-8-18(28)25-12)16-9-24-10-17(27-16)26-14-5-3-13(4-6-14)20(21,22)23;1-12-9-14(7-8-15(12)20(21,22)23)26-18-10-24-11-19(27-18)28-13(2)25-16-5-3-4-6-17(16)28;20-11-3-6-15-30-17(19(24,25)26)16(31(15)9-11)13-7-27-8-14(29-13)28-12-4-1-10(2-5-12)18(21,22)23;20-19(21,22)12-4-6-13(7-5-12)25-18-11-23-10-17(26-18)14-2-1-3-16-15(14)8-9-24-16;1-9-23-13-4-11(19)12(20)5-14(13)26(9)17-8-21-7-16(25-17)24-10-2-3-15(18)22-6-10/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,26,27);3-11H,1-2H3,(H,26,27);1-2,4-5,7-8,11H,3,6,9H2,(H,28,29);1-11,24H,(H,25,26);2-8H,1H3,(H,24,25)
InChIKeyMPDODBXQJTUKOX-UHFFFAOYSA-N
XLogP24.55
TPSA298.24 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001959.23
LogP ≤ 524.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 159631202) is N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine is COC1CCc2nc(C)c(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)n2C1.Cc1cc(Nc2cncc(-n3c(C)nc4ccccc43)n2)ccc1C(F)(F)F.Cc1nc2cc(F)c(F)cc2n1-c1cncc(Nc2ccc(Cl)nc2)n1.FC(F)(F)c1ccc(Nc2cncc(-c3cccc4[nH]ccc34)n2)cc1.FC1CCc2nc(C(F)(F)F)c(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)n2C1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is MPDODBXQJTUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O.C20H16F3N5.C19H14F7N5.C19H13F3N4.C17H11ClF2N6/c1-12-19(28-11-15(29-2)7-8-18(28)25-12)16-9-24-10-17(27-16)26-14-5-3-13(4-6-14)20(21,22)23;1-12-9-14(7-8-15(12)20(21,22)23)26-18-10-24-11-19(27-18)28-13(2)25-16-5-3-4-6-17(16)28;20-11-3-6-15-30-17(19(24,25)26)16(31(15)9-11)13-7-27-8-14(29-13)28-12-4-1-10(2-5-12)18(21,22)23;20-19(21,22)12-4-6-13(7-5-12)25-18-11-23-10-17(26-18)14-2-1-3-16-15(14)8-9-24-16;1-9-23-13-4-11(19)12(20)5-14(13)26(9)17-8-21-7-16(25-17)24-10-2-3-15(18)22-6-10/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,26,27);3-11H,1-2H3,(H,26,27);1-2,4-5,7-8,11H,3,6,9H2,(H,28,29);1-11,24H,(H,25,26);2-8H,1H3,(H,24,25).
What are the key properties of N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine?
N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 1959.23 g/mol, XLogP of 24.55, 16 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(1H-indol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-methoxy-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylbenzimidazol-1-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 159631202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).