tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine

C85H68F17N23O3 — CID 162154471

IUPACtert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESCc1nc2ncccc2n1-c1cc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cc(NC(=O)OC(C)(C)C)cc(Nc2ccc(C(F)(F)F)cc2)n1.Fc1cnc2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.OCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C24H23F3N6O2.C22H16F7N5O.C20H14F4N6.C19H15F3N6/c1-14-29-21-18(6-5-11-28-21)33(14)20-13-17(31-22(34)35-23(2,3)4)12-19(32-20)30-16-9-7-15(8-10-16)24(25,26)27;23-13-3-6-18-33-20(22(27,28)29)19(34(18)11-13)16-9-15(30-7-8-35)10-17(32-16)31-14-4-1-12(2-5-14)21(24,25)26;21-13-7-15-18(26-8-13)29-19(11-1-2-11)30(15)17-10-25-9-16(28-17)27-14-5-3-12(4-6-14)20(22,23)24;1-11-25-18-15(3-2-8-24-18)28(11)17-10-13(23)9-16(27-17)26-14-6-4-12(5-7-14)19(20,21)22/h5-13H,1-4H3,(H2,30,31,32,34);1-6,9-11,35H,7-8H2,(H2,30,31,32);3-11H,1-2H2,(H,27,28);2-10H,1H3,(H3,23,26,27)
InChIKeyZLQIRKOXXSPAMI-UHFFFAOYSA-N
MW1782.60 g/mol
LogP21.41
Rot. Bonds17

About tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine

tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine (PubChem CID 162154471) has the molecular formula C85H68F17N23O3 and a molecular weight of 1782.60 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
PubChem CID162154471
Molecular FormulaC85H68F17N23O3
Molecular Weight1782.60 g/mol
Exact Mass1781.56
IUPAC Nametert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESCc1nc2ncccc2n1-c1cc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cc(NC(=O)OC(C)(C)C)cc(Nc2ccc(C(F)(F)F)cc2)n1.Fc1cnc2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.OCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C24H23F3N6O2.C22H16F7N5O.C20H14F4N6.C19H15F3N6/c1-14-29-21-18(6-5-11-28-21)33(14)20-13-17(31-22(34)35-23(2,3)4)12-19(32-20)30-16-9-7-15(8-10-16)24(25,26)27;23-13-3-6-18-33-20(22(27,28)29)19(34(18)11-13)16-9-15(30-7-8-35)10-17(32-16)31-14-4-1-12(2-5-14)21(24,25)26;21-13-7-15-18(26-8-13)29-19(11-1-2-11)30(15)17-10-25-9-16(28-17)27-14-5-3-12(4-6-14)20(22,23)24;1-11-25-18-15(3-2-8-24-18)28(11)17-10-13(23)9-16(27-17)26-14-6-4-12(5-7-14)19(20,21)22/h5-13H,1-4H3,(H2,30,31,32,34);1-6,9-11,35H,7-8H2,(H2,30,31,32);3-11H,1-2H2,(H,27,28);2-10H,1H3,(H3,23,26,27)
InChIKeyZLQIRKOXXSPAMI-UHFFFAOYSA-N
XLogP21.41
TPSA318.61 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001782.60
LogP ≤ 521.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11420970, Example 177
CID 156637867
1-Ethyl-3-[4-[6-morpholin-4-yl-9-[1-(pyridin-3-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]urea;2,2,2-trifluoroacetic acid
CID 69046052
1-Methyl-3-[4-[6-morpholin-4-yl-9-[1-(pyridin-3-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]urea;2,2,2-trifluoroacetic acid
CID 69048531
5-[2,6-bis[(3S)-3-methylmorpholin-4-yl]-7H-purin-8-yl]-1,3-dihydrobenzimidazol-2-one;(3S)-4-[2-(4,4-difluoropiperidin-1-yl)-8-(1H-indol-4-yl)-7H-purin-6-yl]-3-methylmorpholine
CID 88925583
tert-butyl (1S,4S)-5-[[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 141534949
[9-[[5-[3-(2,2-Difluoroethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 156069910
[9-[[2-(3,4-Difluorophenyl)-5-[3-(methoxycarbonylamino)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]-4-pyridinyl]methyl]purin-6-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 156069921
2-[1-[6-(dimethylamino)-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;methyl N-[4-[(1R)-1-[[5-cyano-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]carbamate;2-[[(1R)-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 157204442
N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[4-[3-(2,2-difluoroethyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-3-(2-fluoroethyl)-2-methylbenzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157363932
2-[[(1R)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;methyl N-[4-[(1R)-1-[[5-cyano-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]carbamate;2-[1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[[(1R)-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 157367771
CID 157387428
CID 157387428
N-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylazetidin-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;N-[5-fluoro-4-[7-fluoro-2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 157498070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The IUPAC name of tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine (CID 162154471) is tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The canonical SMILES for tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine is Cc1nc2ncccc2n1-c1cc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1cc(NC(=O)OC(C)(C)C)cc(Nc2ccc(C(F)(F)F)cc2)n1.Fc1cnc2nc(C3CC3)n(-c3cncc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.OCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.
What is the InChIKey of tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The InChIKey is ZLQIRKOXXSPAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2.C22H16F7N5O.C20H14F4N6.C19H15F3N6/c1-14-29-21-18(6-5-11-28-21)33(14)20-13-17(31-22(34)35-23(2,3)4)12-19(32-20)30-16-9-7-15(8-10-16)24(25,26)27;23-13-3-6-18-33-20(22(27,28)29)19(34(18)11-13)16-9-15(30-7-8-35)10-17(32-16)31-14-4-1-12(2-5-14)21(24,25)26;21-13-7-15-18(26-8-13)29-19(11-1-2-11)30(15)17-10-25-9-16(28-17)27-14-5-3-12(4-6-14)20(22,23)24;1-11-25-18-15(3-2-8-24-18)28(11)17-10-13(23)9-16(27-17)26-14-6-4-12(5-7-14)19(20,21)22/h5-13H,1-4H3,(H2,30,31,32,34);1-6,9-11,35H,7-8H2,(H2,30,31,32);3-11H,1-2H2,(H,27,28);2-10H,1H3,(H3,23,26,27).
What are the key properties of tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine has a molecular weight of 1782.60 g/mol, XLogP of 21.41, 17 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylimidazo[4,5-b]pyridin-1-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 162154471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).