7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone

C132H130BrCl2F27N30O — CID 159689913

IUPAC7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone
SMILESFC(F)(F)c1c(CN2CCN(c3ccc(Br)cc3[18F])CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc(Cl)cc3[18F])CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc([18F])cc3Cl)CC2)ccn2c(CC3CC3)nnc12.Fc1cc([18F])ccc1N1CCN(Cc2cc(C(F)(F)F)cn3c(CC4CC4)nnc23)CC1.Fc1cc([18F])ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1.O=C(c1cnc2c(cnn2CC2CC2)c1C(F)(F)F)N1CCN(c2ccc([18F])cc2F)CC1
InChIInChI=1S/C22H22BrF4N5.2C22H22ClF4N5.C22H20F5N5O.2C22H22F5N5/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;23-17-12-16(24)3-4-18(17)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;23-16-3-4-18(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;23-14-3-4-18(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;23-16-3-4-18(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/h3*3-6,12,14H,1-2,7-11,13H2;3-4,9-11,13H,1-2,5-8,12H2;3-4,10-11,13-14H,1-2,5-9,12H2;3-6,12,14H,1-2,7-11,13H2/i3*24-1;3*23-1
InChIKeyMWGVUZDTPGBPFZ-DZZJSRKTSA-N
MW2810.47 g/mol
LogP27.26
Rot. Bonds29

About 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone

7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 159689913) has the molecular formula C132H130BrCl2F27N30O and a molecular weight of 2810.47 g/mol. Its IUPAC name is 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID159689913
Molecular FormulaC132H130BrCl2F27N30O
Molecular Weight2810.47 g/mol
Exact Mass2806.93
IUPAC Name7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone
SMILESFC(F)(F)c1c(CN2CCN(c3ccc(Br)cc3[18F])CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc(Cl)cc3[18F])CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc([18F])cc3Cl)CC2)ccn2c(CC3CC3)nnc12.Fc1cc([18F])ccc1N1CCN(Cc2cc(C(F)(F)F)cn3c(CC4CC4)nnc23)CC1.Fc1cc([18F])ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1.O=C(c1cnc2c(cnn2CC2CC2)c1C(F)(F)F)N1CCN(c2ccc([18F])cc2F)CC1
InChIInChI=1S/C22H22BrF4N5.2C22H22ClF4N5.C22H20F5N5O.2C22H22F5N5/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;23-17-12-16(24)3-4-18(17)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;23-16-3-4-18(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;23-14-3-4-18(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;23-16-3-4-18(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/h3*3-6,12,14H,1-2,7-11,13H2;3-4,9-11,13H,1-2,5-8,12H2;3-4,10-11,13-14H,1-2,5-9,12H2;3-6,12,14H,1-2,7-11,13H2/i3*24-1;3*23-1
InChIKeyMWGVUZDTPGBPFZ-DZZJSRKTSA-N
XLogP27.26
TPSA237.61 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002810.47
LogP ≤ 527.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone (CID 159689913) is 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone is FC(F)(F)c1c(CN2CCN(c3ccc(Br)cc3[18F])CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc(Cl)cc3[18F])CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCN(c3ccc([18F])cc3Cl)CC2)ccn2c(CC3CC3)nnc12.Fc1cc([18F])ccc1N1CCN(Cc2cc(C(F)(F)F)cn3c(CC4CC4)nnc23)CC1.Fc1cc([18F])ccc1N1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1.O=C(c1cnc2c(cnn2CC2CC2)c1C(F)(F)F)N1CCN(c2ccc([18F])cc2F)CC1.
What is the InChIKey of 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MWGVUZDTPGBPFZ-DZZJSRKTSA-N. The full InChI is InChI=1S/C22H22BrF4N5.2C22H22ClF4N5.C22H20F5N5O.2C22H22F5N5/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;23-17-12-16(24)3-4-18(17)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;23-16-3-4-18(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;23-14-3-4-18(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;23-16-3-4-18(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/h3*3-6,12,14H,1-2,7-11,13H2;3-4,9-11,13H,1-2,5-8,12H2;3-4,10-11,13-14H,1-2,5-9,12H2;3-6,12,14H,1-2,7-11,13H2/i3*24-1;3*23-1.
What are the key properties of 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone?
7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 2810.47 g/mol, XLogP of 27.26, 29 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-bromo-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(2-chloro-4-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;7-[[4-(4-chloro-2-(18F)fluorophenyl)piperazin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-[[4-(4-(18F)fluoro-2-fluorophenyl)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-(4-(18F)fluoro-2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159689913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).