About 3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 157176874) has the molecular formula C150H158F26N34O7
and a molecular weight of 3043.09 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-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)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-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)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 157176874) is 3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-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)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-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)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3nccc4c3n2CCC4)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1.COc1cc(C(F)(F)F)cnc1C1CCN(Cc2nc3ncccc3n2C)CC1C.COc1cc(C(F)(F)F)cnc1OCC1[C@H]2CN(Cc3nc4ncccc4n3C)C[C@@H]12.Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3OCCF)CC2)nc2ncccc21.Fc1ccc(N2CCN(Cc3cc(C(F)(F)F)cn4c(CC5CC5)nnc34)CC2)c(F)c1.O=C(c1cnc2c(cnn2CC2CC2)c1C(F)(F)F)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is AOCORQYONVTNKI-NWRILEFDSA-N. The full InChI is InChI=1S/C22H20F5N5O.C22H22F5N5.C22H24F4N4O.C22H24F3N5O.C21H22F3N5O2.C21H24F3N5O.C20H22F3N5O/c23-14-3-4-18(17(24)9-14)30-5-7-31(8-6-30)21(33)16-10-28-20-15(19(16)22(25,26)27)11-29-32(20)12-13-1-2-13;23-17-3-4-19(18(24)11-17)31-7-5-30(6-8-31)12-15-10-16(22(25,26)27)13-32-20(9-14-1-2-14)28-29-21(15)32;1-29-18-3-2-9-27-21(18)28-20(29)14-30-10-6-15(7-11-30)17-5-4-16(22(24,25)26)13-19(17)31-12-8-23;1-31-17-11-16(22(23,24)25)12-27-19(17)14-5-9-29(10-6-14)13-18-28-21-20-15(4-7-26-21)3-2-8-30(18)20;1-28-16-4-3-5-25-19(16)27-18(28)10-29-8-13-14(9-29)15(13)11-31-20-17(30-2)6-12(7-26-20)21(22,23)24;1-13-11-29(12-18-27-20-16(28(18)2)5-4-7-25-20)8-6-15(13)19-17(30-3)9-14(10-26-19)21(22,23)24;1-27-15-4-3-7-24-19(15)26-17(27)12-28-8-5-13(6-9-28)18-16(29-2)10-14(11-25-18)20(21,22)23/h3-4,9-11,13H,1-2,5-8,12H2;3-4,10-11,13-14H,1-2,5-9,12H2;2-5,9,13,15H,6-8,10-12,14H2,1H3;4,7,11-12,14H,2-3,5-6,8-10,13H2,1H3;3-7,13-15H,8-11H2,1-2H3;4-5,7,9-10,13,15H,6,8,11-12H2,1-3H3;3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3/t;;;;13-,14+,15?;;.
What are the key properties of 3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 3043.09 g/mol, XLogP of 28.23, 33 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 157176874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).