N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide

C108H80F20N32O12 — CID 173422565

IUPACN-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C(C)CCN(C(=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)C(CC(N)=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cn1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2c1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4cccnc4C)cn3)c2c1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4ccncc4C)cn3)c2c1
InChIInChI=1S/C48H38F9N15O6.C20H12F5N5O2.2C20H15F3N6O2/c1-23(41(74)68-37-19-64-40(22-61-37)72-34-10-7-26(78-4)15-29(34)67-45(72)48(55,56)57)11-12-69(42(75)31-18-63-39(21-60-31)71-33-9-6-25(77-3)14-28(33)66-44(71)47(52,53)54)35(16-36(58)73)30-17-62-38(20-59-30)70-32-8-5-24(76-2)13-27(32)65-43(70)46(49,50)51;1-32-10-5-6-13-14(7-10)30(19(28-13)20(23,24)25)16-9-26-15(8-27-16)29-18(31)17-11(21)3-2-4-12(17)22;1-11-8-24-6-5-13(11)18(30)28-16-9-26-17(10-25-16)29-15-7-12(31-2)3-4-14(15)27-19(29)20(21,22)23;1-11-13(4-3-7-24-11)18(30)28-16-9-26-17(10-25-16)29-15-8-12(31-2)5-6-14(15)27-19(29)20(21,22)23/h5-10,13-15,17-23,35H,11-12,16H2,1-4H3,(H2,58,73)(H,61,68,74);2-9H,1H3,(H,26,29,31);2*3-10H,1-2H3,(H,25,28,30)
InChIKeyHGYRSYLRIULSKD-UHFFFAOYSA-N
MW2398.00 g/mol
LogP19.85
Rot. Bonds28

About N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide

N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide (PubChem CID 173422565) has the molecular formula C108H80F20N32O12 and a molecular weight of 2398.00 g/mol. Its IUPAC name is N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
PubChem CID173422565
Molecular FormulaC108H80F20N32O12
Molecular Weight2398.00 g/mol
Exact Mass2396.63
IUPAC NameN-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C(C)CCN(C(=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)C(CC(N)=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cn1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2c1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4cccnc4C)cn3)c2c1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4ccncc4C)cn3)c2c1
InChIInChI=1S/C48H38F9N15O6.C20H12F5N5O2.2C20H15F3N6O2/c1-23(41(74)68-37-19-64-40(22-61-37)72-34-10-7-26(78-4)15-29(34)67-45(72)48(55,56)57)11-12-69(42(75)31-18-63-39(21-60-31)71-33-9-6-25(77-3)14-28(33)66-44(71)47(52,53)54)35(16-36(58)73)30-17-62-38(20-59-30)70-32-8-5-24(76-2)13-27(32)65-43(70)46(49,50)51;1-32-10-5-6-13-14(7-10)30(19(28-13)20(23,24)25)16-9-26-15(8-27-16)29-18(31)17-11(21)3-2-4-12(17)22;1-11-8-24-6-5-13(11)18(30)28-16-9-26-17(10-25-16)29-15-7-12(31-2)3-4-14(15)27-19(29)20(21,22)23;1-11-13(4-3-7-24-11)18(30)28-16-9-26-17(10-25-16)29-15-8-12(31-2)5-6-14(15)27-19(29)20(21,22)23/h5-10,13-15,17-23,35H,11-12,16H2,1-4H3,(H2,58,73)(H,61,68,74);2-9H,1H3,(H,26,29,31);2*3-10H,1-2H3,(H,25,28,30)
InChIKeyHGYRSYLRIULSKD-UHFFFAOYSA-N
XLogP19.85
TPSA522.56 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002398.00
LogP ≤ 519.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Analyze N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide (CID 173422565) is N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C(C)CCN(C(=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)C(CC(N)=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cn1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4c(F)cccc4F)cn3)c2c1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4cccnc4C)cn3)c2c1.COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4ccncc4C)cn3)c2c1.
What is the InChIKey of N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is HGYRSYLRIULSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38F9N15O6.C20H12F5N5O2.2C20H15F3N6O2/c1-23(41(74)68-37-19-64-40(22-61-37)72-34-10-7-26(78-4)15-29(34)67-45(72)48(55,56)57)11-12-69(42(75)31-18-63-39(21-60-31)71-33-9-6-25(77-3)14-28(33)66-44(71)47(52,53)54)35(16-36(58)73)30-17-62-38(20-59-30)70-32-8-5-24(76-2)13-27(32)65-43(70)46(49,50)51;1-32-10-5-6-13-14(7-10)30(19(28-13)20(23,24)25)16-9-26-15(8-27-16)29-18(31)17-11(21)3-2-4-12(17)22;1-11-8-24-6-5-13(11)18(30)28-16-9-26-17(10-25-16)29-15-7-12(31-2)3-4-14(15)27-19(29)20(21,22)23;1-11-13(4-3-7-24-11)18(30)28-16-9-26-17(10-25-16)29-15-8-12(31-2)5-6-14(15)27-19(29)20(21,22)23/h5-10,13-15,17-23,35H,11-12,16H2,1-4H3,(H2,58,73)(H,61,68,74);2-9H,1H3,(H,26,29,31);2*3-10H,1-2H3,(H,25,28,30).
What are the key properties of N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide?
N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 2398.00 g/mol, XLogP of 19.85, 28 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 173422565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).