About 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 159730165) has the molecular formula C148H156F25N33O5
and a molecular weight of 2952.05 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
Frequently Asked Questions
What is the IUPAC name of 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 159730165) is 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is CC1CN(Cc2nc3ncccc3n2C)CCC1c1ccc(C(F)(F)F)cc1F.COc1cc(C(F)(F)F)ccc1C1CCN(Cc2nc3ncccc3n2C)CC1.COc1cc(C(F)(F)F)ccc1N1CCN(Cc2nc3nccc4c3n2CCC4)CC1.COc1cc(C(F)(F)F)ccc1OCC1[C@H]2CN(Cc3nc4ncccc4n3C)C[C@@H]12.COc1cc(C(F)(F)F)cnc1N1CCN(Cc2nc3nccc4c3n2CCC4)CC1.Cn1c(CN2CCC(c3ncc(C(F)(F)F)cc3F)CC2)nc2ncccc21.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is NBDHUGDMILFVEC-KYAZUICSSA-N. The full InChI is InChI=1S/C22H22F5N5.C22H24F3N5O.C22H23F3N4O2.C21H22F4N4.C21H23F3N6O.C21H23F3N4O.C19H19F4N5/c23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27;1-31-18-13-16(22(23,24)25)4-5-17(18)29-11-9-28(10-12-29)14-19-27-21-20-15(6-7-26-21)3-2-8-30(19)20;1-28-17-4-3-7-26-21(17)27-20(28)11-29-9-14-15(10-29)16(14)12-31-18-6-5-13(22(23,24)25)8-19(18)30-2;1-13-11-29(12-19-27-20-18(28(19)2)4-3-8-26-20)9-7-15(13)16-6-5-14(10-17(16)22)21(23,24)25;1-31-16-11-15(21(22,23)24)12-26-20(16)29-9-7-28(8-10-29)13-17-27-19-18-14(4-5-25-19)3-2-6-30(17)18;1-27-17-4-3-9-25-20(17)26-19(27)13-28-10-7-14(8-11-28)16-6-5-15(21(22,23)24)12-18(16)29-2;1-27-15-3-2-6-24-18(15)26-16(27)11-28-7-4-12(5-8-28)17-14(20)9-13(10-25-17)19(21,22)23/h3-6,12,14H,1-2,7-11,13H2;4-7,13H,2-3,8-12,14H2,1H3;3-8,14-16H,9-12H2,1-2H3;3-6,8,10,13,15H,7,9,11-12H2,1-2H3;4-5,11-12H,2-3,6-10,13H2,1H3;3-6,9,12,14H,7-8,10-11,13H2,1-2H3;2-3,6,9-10,12H,4-5,7-8,11H2,1H3/t;;14-,15+,16?;;;;.
What are the key properties of 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 2952.05 g/mol, XLogP of 27.93, 29 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[[4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[2-methoxy-4-(trifluoromethyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 159730165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).