7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine

C146H133Cl6F35N36O7S — CID 158942711

IUPAC7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)cc1.COc1cccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)c1.CS(=O)(=O)N1CCC(Cn2cc(C(F)(F)F)c3c(F)ncnc32)CC1.Cc1ncnc2c1c(C(F)(F)F)cn2CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1ncnc2c1c(C(F)(F)F)cn2CC1CCNCC1.FC(F)(F)c1cn(CC2CCNCC2)c2ncncc12.FC(F)(F)c1cn(Cc2ccccc2)c2ncnc(Cl)c12.FC(F)(F)c1cn(Cc2cccnc2)c2ncnc(Cl)c12.Fc1ccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)cc1.O=C(N1CCC(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)CC1)C(F)(F)F
InChIInChI=1S/C19H25F3N4O2.C15H13ClF6N4O.2C15H11ClF3N3O.C14H8ClF4N3.C14H9ClF3N3.C14H16F4N4O2S.C14H17F3N4.C13H8ClF3N4.C13H15F3N4/c1-12-15-14(19(20,21)22)10-26(16(15)24-11-23-12)9-13-5-7-25(8-6-13)17(27)28-18(2,3)4;16-11-10-9(14(17,18)19)6-26(12(10)24-7-23-11)5-8-1-3-25(4-2-8)13(27)15(20,21)22;1-23-10-4-2-9(3-5-10)6-22-7-11(15(17,18)19)12-13(16)20-8-21-14(12)22;1-23-10-4-2-3-9(5-10)6-22-7-11(15(17,18)19)12-13(16)20-8-21-14(12)22;15-12-11-10(14(17,18)19)6-22(13(11)21-7-20-12)5-8-1-3-9(16)4-2-8;15-12-11-10(14(16,17)18)7-21(13(11)20-8-19-12)6-9-4-2-1-3-5-9;1-25(23,24)22-4-2-9(3-5-22)6-21-7-10(14(16,17)18)11-12(15)19-8-20-13(11)21;1-9-12-11(14(15,16)17)7-21(13(12)20-8-19-9)6-10-2-4-18-5-3-10;14-11-10-9(13(15,16)17)6-21(12(10)20-7-19-11)5-8-2-1-3-18-4-8;14-13(15,16)11-7-20(6-9-1-3-17-4-2-9)12-10(11)5-18-8-19-12/h10-11,13H,5-9H2,1-4H3;6-8H,1-5H2;2*2-5,7-8H,6H2,1H3;1-4,6-7H,5H2;1-5,7-8H,6H2;7-9H,2-6H2,1H3;7-8,10,18H,2-6H2,1H3;1-4,6-7H,5H2;5,7-9,17H,1-4,6H2
InChIKeyJKLIQKRLMQOQOQ-UHFFFAOYSA-N
MW3413.63 g/mol
LogP36.09
Rot. Bonds23

About 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine

7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 158942711) has the molecular formula C146H133Cl6F35N36O7S and a molecular weight of 3413.63 g/mol. Its IUPAC name is 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID158942711
Molecular FormulaC146H133Cl6F35N36O7S
Molecular Weight3413.63 g/mol
Exact Mass3408.85
IUPAC Name7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)cc1.COc1cccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)c1.CS(=O)(=O)N1CCC(Cn2cc(C(F)(F)F)c3c(F)ncnc32)CC1.Cc1ncnc2c1c(C(F)(F)F)cn2CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1ncnc2c1c(C(F)(F)F)cn2CC1CCNCC1.FC(F)(F)c1cn(CC2CCNCC2)c2ncncc12.FC(F)(F)c1cn(Cc2ccccc2)c2ncnc(Cl)c12.FC(F)(F)c1cn(Cc2cccnc2)c2ncnc(Cl)c12.Fc1ccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)cc1.O=C(N1CCC(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)CC1)C(F)(F)F
InChIInChI=1S/C19H25F3N4O2.C15H13ClF6N4O.2C15H11ClF3N3O.C14H8ClF4N3.C14H9ClF3N3.C14H16F4N4O2S.C14H17F3N4.C13H8ClF3N4.C13H15F3N4/c1-12-15-14(19(20,21)22)10-26(16(15)24-11-23-12)9-13-5-7-25(8-6-13)17(27)28-18(2,3)4;16-11-10-9(14(17,18)19)6-26(12(10)24-7-23-11)5-8-1-3-25(4-2-8)13(27)15(20,21)22;1-23-10-4-2-9(3-5-10)6-22-7-11(15(17,18)19)12-13(16)20-8-21-14(12)22;1-23-10-4-2-3-9(5-10)6-22-7-11(15(17,18)19)12-13(16)20-8-21-14(12)22;15-12-11-10(14(17,18)19)6-22(13(11)21-7-20-12)5-8-1-3-9(16)4-2-8;15-12-11-10(14(16,17)18)7-21(13(11)20-8-19-12)6-9-4-2-1-3-5-9;1-25(23,24)22-4-2-9(3-5-22)6-21-7-10(14(16,17)18)11-12(15)19-8-20-13(11)21;1-9-12-11(14(15,16)17)7-21(13(12)20-8-19-9)6-10-2-4-18-5-3-10;14-11-10-9(13(15,16)17)6-21(12(10)20-7-19-11)5-8-2-1-3-18-4-8;14-13(15,16)11-7-20(6-9-1-3-17-4-2-9)12-10(11)5-18-8-19-12/h10-11,13H,5-9H2,1-4H3;6-8H,1-5H2;2*2-5,7-8H,6H2,1H3;1-4,6-7H,5H2;1-5,7-8H,6H2;7-9H,2-6H2,1H3;7-8,10,18H,2-6H2,1H3;1-4,6-7H,5H2;5,7-9,17H,1-4,6H2
InChIKeyJKLIQKRLMQOQOQ-UHFFFAOYSA-N
XLogP36.09
TPSA449.74 Ų
H-Bond Donors2
H-Bond Acceptors40
Rotatable Bonds23
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003413.63
LogP ≤ 536.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1040

Analyze 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine 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

Tert-butyl 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-6-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 158410325
Tert-butyl 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-6-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 159093101
Tert-butyl 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 160602198
tert-butyl 2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-(4-ethoxyphenyl)-N,N-diethylpyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N,N-di(propan-2-yl)pyrrolo[2,3-b]pyridine-7-carboxamide;2-(4-ethoxyphenyl)-N-ethylpyrrolo[2,3-b]pyridine-1-carboxamide;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one;1-[2-(4-ethoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 160946004

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine (CID 158942711) is 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine is COc1ccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)cc1.COc1cccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)c1.CS(=O)(=O)N1CCC(Cn2cc(C(F)(F)F)c3c(F)ncnc32)CC1.Cc1ncnc2c1c(C(F)(F)F)cn2CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1ncnc2c1c(C(F)(F)F)cn2CC1CCNCC1.FC(F)(F)c1cn(CC2CCNCC2)c2ncncc12.FC(F)(F)c1cn(Cc2ccccc2)c2ncnc(Cl)c12.FC(F)(F)c1cn(Cc2cccnc2)c2ncnc(Cl)c12.Fc1ccc(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)cc1.O=C(N1CCC(Cn2cc(C(F)(F)F)c3c(Cl)ncnc32)CC1)C(F)(F)F.
What is the InChIKey of 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is JKLIQKRLMQOQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2.C15H13ClF6N4O.2C15H11ClF3N3O.C14H8ClF4N3.C14H9ClF3N3.C14H16F4N4O2S.C14H17F3N4.C13H8ClF3N4.C13H15F3N4/c1-12-15-14(19(20,21)22)10-26(16(15)24-11-23-12)9-13-5-7-25(8-6-13)17(27)28-18(2,3)4;16-11-10-9(14(17,18)19)6-26(12(10)24-7-23-11)5-8-1-3-25(4-2-8)13(27)15(20,21)22;1-23-10-4-2-9(3-5-10)6-22-7-11(15(17,18)19)12-13(16)20-8-21-14(12)22;1-23-10-4-2-3-9(5-10)6-22-7-11(15(17,18)19)12-13(16)20-8-21-14(12)22;15-12-11-10(14(17,18)19)6-22(13(11)21-7-20-12)5-8-1-3-9(16)4-2-8;15-12-11-10(14(16,17)18)7-21(13(11)20-8-19-12)6-9-4-2-1-3-5-9;1-25(23,24)22-4-2-9(3-5-22)6-21-7-10(14(16,17)18)11-12(15)19-8-20-13(11)21;1-9-12-11(14(15,16)17)7-21(13(12)20-8-19-9)6-10-2-4-18-5-3-10;14-11-10-9(13(15,16)17)6-21(12(10)20-7-19-11)5-8-2-1-3-18-4-8;14-13(15,16)11-7-20(6-9-1-3-17-4-2-9)12-10(11)5-18-8-19-12/h10-11,13H,5-9H2,1-4H3;6-8H,1-5H2;2*2-5,7-8H,6H2,1H3;1-4,6-7H,5H2;1-5,7-8H,6H2;7-9H,2-6H2,1H3;7-8,10,18H,2-6H2,1H3;1-4,6-7H,5H2;5,7-9,17H,1-4,6H2.
What are the key properties of 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine?
7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 3413.63 g/mol, XLogP of 36.09, 23 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;tert-butyl 4-[[4-methyl-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;4-chloro-7-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-chloro-7-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;1-[4-[[4-chloro-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone;4-fluoro-7-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;4-methyl-7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine;7-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158942711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).