2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

C110H72BrF18N33 — CID 159373251

IUPAC2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(Br)cc1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc2ccccc2c1.N#Cc1cnc(NC2CCCc3ccccc32)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12.N#Cc1cnc(NCc2ccc(C(F)(F)F)nc2)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12.N#Cc1cnc(NCc2nc3ccccc3[nH]2)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12
InChIInChI=1S/C25H17F3N6.C23H17F3N6.C21H14BrF3N6.C21H13F3N8.C20H11F6N7/c1-14(16-7-6-15-4-2-3-5-17(15)8-16)33-24-32-11-18(10-29)22(34-24)21-13-31-23-20(21)9-19(12-30-23)25(26,27)28;24-23(25,26)15-8-17-18(12-29-21(17)28-11-15)20-14(9-27)10-30-22(32-20)31-19-7-3-5-13-4-1-2-6-16(13)19;1-11(12-2-4-15(22)5-3-12)30-20-29-8-13(7-26)18(31-20)17-10-28-19-16(17)6-14(9-27-19)21(23,24)25;22-21(23,24)12-5-13-14(9-27-19(13)26-8-12)18-11(6-25)7-28-20(32-18)29-10-17-30-15-3-1-2-4-16(15)31-17;21-19(22,23)12-3-13-14(9-30-17(13)29-8-12)16-11(4-27)7-32-18(33-16)31-6-10-1-2-15(28-5-10)20(24,25)26/h2-9,11-14H,1H3,(H,30,31)(H,32,33,34);1-2,4,6,8,10-12,19H,3,5,7H2,(H,28,29)(H,30,31,32);2-6,8-11H,1H3,(H,27,28)(H,29,30,31);1-5,7-9H,10H2,(H,26,27)(H,30,31)(H,28,29,32);1-3,5,7-9H,6H2,(H,29,30)(H,31,32,33)/t14-;;11-;;/m1.1../s1
InChIKeyLJZRWZZKSZNPSS-TXKARAGKSA-N
MW2277.88 g/mol
LogP26.82
Rot. Bonds19

About 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile (PubChem CID 159373251) has the molecular formula C110H72BrF18N33 and a molecular weight of 2277.88 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
PubChem CID159373251
Molecular FormulaC110H72BrF18N33
Molecular Weight2277.88 g/mol
Exact Mass2275.55
IUPAC Name2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(Br)cc1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc2ccccc2c1.N#Cc1cnc(NC2CCCc3ccccc32)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12.N#Cc1cnc(NCc2ccc(C(F)(F)F)nc2)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12.N#Cc1cnc(NCc2nc3ccccc3[nH]2)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12
InChIInChI=1S/C25H17F3N6.C23H17F3N6.C21H14BrF3N6.C21H13F3N8.C20H11F6N7/c1-14(16-7-6-15-4-2-3-5-17(15)8-16)33-24-32-11-18(10-29)22(34-24)21-13-31-23-20(21)9-19(12-30-23)25(26,27)28;24-23(25,26)15-8-17-18(12-29-21(17)28-11-15)20-14(9-27)10-30-22(32-20)31-19-7-3-5-13-4-1-2-6-16(13)19;1-11(12-2-4-15(22)5-3-12)30-20-29-8-13(7-26)18(31-20)17-10-28-19-16(17)6-14(9-27-19)21(23,24)25;22-21(23,24)12-5-13-14(9-27-19(13)26-8-12)18-11(6-25)7-28-20(32-18)29-10-17-30-15-3-1-2-4-16(15)31-17;21-19(22,23)12-3-13-14(9-30-17(13)29-8-12)16-11(4-27)7-32-18(33-16)31-6-10-1-2-15(28-5-10)20(24,25)26/h2-9,11-14H,1H3,(H,30,31)(H,32,33,34);1-2,4,6,8,10-12,19H,3,5,7H2,(H,28,29)(H,30,31,32);2-6,8-11H,1H3,(H,27,28)(H,29,30,31);1-5,7-9H,10H2,(H,26,27)(H,30,31)(H,28,29,32);1-3,5,7-9H,6H2,(H,29,30)(H,31,32,33)/t14-;;11-;;/m1.1../s1
InChIKeyLJZRWZZKSZNPSS-TXKARAGKSA-N
XLogP26.82
TPSA492.97 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002277.88
LogP ≤ 526.82
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[3-[[2-[3-[3-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]phenyl]-9H-purin-6-yl]amino]phenyl]-6-(trifluoromethyl)-2-pyridinyl]-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine
CID 155249069
4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole
CID 157185595
3-[2-[3,5-Bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;8-[2-[3,5-bis(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;1-phenyl-2-[4-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine
CID 157267190
2-[[(1R)-1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[2-(methylamino)ethylamino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[4-[(1-methylpyrrolidin-3-yl)amino]phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[1-[6-[[(3S)-pyrrolidin-3-yl]amino]-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 157421109
CID 157458247
CID 157458247
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(4-isocyanophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrimidin-4-yl]benzonitrile;3-[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrimidin-4-yl]benzonitrile;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 157662920
6,7-difluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;8-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7,8-dimethyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(trifluoromethyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]quinazolin-4-amine
CID 157802453
2-[[(1R)-1-[6-[2-(diethylamino)ethyl-methylamino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[methyl-[3-(methylamino)propyl]amino]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[6-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-3-pyridinyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 157927244
3-[2-[3,5-Bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;3-(2-methylphenyl)-2-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-phenylphenyl)-2-[4-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 157999952
9-[3-[2,7-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole;9-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3-(6-phenyl-2-pyridinyl)carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 158055552
N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)quinazolin-4-amine;N-[1-[(2,4-dimethyl-1H-inden-5-yl)methyl]piperidin-4-yl]-7-(2,2,2-trifluoroethyl)quinazolin-4-amine;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(1H-pyrrol-3-ylmethyl)-5-[[4-[[7-(2,2,2-trifluoroethyl)quinazolin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 158234902
3-[2-[3,5-Bis[3-(3-isocyanophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-(2,6-dimethylphenyl)-2-[4-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine;1-(3-methylphenyl)-2-[3-[1-(3-methylphenyl)benzimidazol-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]benzimidazole;3-(2-methylphenyl)-2-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine;1-phenyl-2-[3-[3-(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[4-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-phenylphenyl)-2-[4-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 158550721

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile (CID 159373251) is 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile is C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc(Br)cc1.C[C@@H](Nc1ncc(C#N)c(-c2c[nH]c3ncc(C(F)(F)F)cc23)n1)c1ccc2ccccc2c1.N#Cc1cnc(NC2CCCc3ccccc32)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12.N#Cc1cnc(NCc2ccc(C(F)(F)F)nc2)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12.N#Cc1cnc(NCc2nc3ccccc3[nH]2)nc1-c1c[nH]c2ncc(C(F)(F)F)cc12.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
The InChIKey is LJZRWZZKSZNPSS-TXKARAGKSA-N. The full InChI is InChI=1S/C25H17F3N6.C23H17F3N6.C21H14BrF3N6.C21H13F3N8.C20H11F6N7/c1-14(16-7-6-15-4-2-3-5-17(15)8-16)33-24-32-11-18(10-29)22(34-24)21-13-31-23-20(21)9-19(12-30-23)25(26,27)28;24-23(25,26)15-8-17-18(12-29-21(17)28-11-15)20-14(9-27)10-30-22(32-20)31-19-7-3-5-13-4-1-2-6-16(13)19;1-11(12-2-4-15(22)5-3-12)30-20-29-8-13(7-26)18(31-20)17-10-28-19-16(17)6-14(9-27-19)21(23,24)25;22-21(23,24)12-5-13-14(9-27-19(13)26-8-12)18-11(6-25)7-28-20(32-18)29-10-17-30-15-3-1-2-4-16(15)31-17;21-19(22,23)12-3-13-14(9-30-17(13)29-8-12)16-11(4-27)7-32-18(33-16)31-6-10-1-2-15(28-5-10)20(24,25)26/h2-9,11-14H,1H3,(H,30,31)(H,32,33,34);1-2,4,6,8,10-12,19H,3,5,7H2,(H,28,29)(H,30,31,32);2-6,8-11H,1H3,(H,27,28)(H,29,30,31);1-5,7-9H,10H2,(H,26,27)(H,30,31)(H,28,29,32);1-3,5,7-9H,6H2,(H,29,30)(H,31,32,33)/t14-;;11-;;/m1.1../s1.
What are the key properties of 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile?
2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile has a molecular weight of 2277.88 g/mol, XLogP of 26.82, 19 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-naphthalen-2-ylethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 159373251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).