2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone

C94H103F17N18O5 — CID 158373840

IUPAC2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(C(CC(C)(C)C)Nc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)C1.CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(F)F)c(F)c2)c1F)C(N)=O.Cc1ccc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)c(F)c3)c2F)cn1.Cc1ccc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1
InChIInChI=1S/C27H35F4N5O2.C23H29F4N5O.C22H19F5N4O.C22H20F4N4O/c1-17(37)35-12-13-38-22(15-35)20(14-26(2,3)4)34-24-23(28)25(33-16-32-24)36-11-5-6-21(36)18-7-9-19(10-8-18)27(29,30)31;1-22(2,3)11-16(19(28)33)31-20-18(25)21(30-12-29-20)32-9-5-6-17(32)13-7-8-14(15(24)10-13)23(4,26)27;1-13-4-5-14(10-28-13)11-32-21-19(24)20(29-12-30-21)31-8-2-3-18(31)15-6-7-16(17(23)9-15)22(25,26)27;1-14-4-5-15(11-27-14)12-31-21-19(23)20(28-13-29-21)30-10-2-3-18(30)16-6-8-17(9-7-16)22(24,25)26/h7-10,16,20-22H,5-6,11-15H2,1-4H3,(H,32,33,34);7-8,10,12,16-17H,5-6,9,11H2,1-4H3,(H2,28,33)(H,29,30,31);4-7,9-10,12,18H,2-3,8,11H2,1H3;4-9,11,13,18H,2-3,10,12H2,1H3
InChIKeyGUYKZQGZGOFMRN-UHFFFAOYSA-N
MW1887.94 g/mol
LogP21.01
Rot. Bonds23

About 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone

2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone (PubChem CID 158373840) has the molecular formula C94H103F17N18O5 and a molecular weight of 1887.94 g/mol. Its IUPAC name is 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone
PubChem CID158373840
Molecular FormulaC94H103F17N18O5
Molecular Weight1887.94 g/mol
Exact Mass1886.81
IUPAC Name2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(C(CC(C)(C)C)Nc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)C1.CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(F)F)c(F)c2)c1F)C(N)=O.Cc1ccc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)c(F)c3)c2F)cn1.Cc1ccc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1
InChIInChI=1S/C27H35F4N5O2.C23H29F4N5O.C22H19F5N4O.C22H20F4N4O/c1-17(37)35-12-13-38-22(15-35)20(14-26(2,3)4)34-24-23(28)25(33-16-32-24)36-11-5-6-21(36)18-7-9-19(10-8-18)27(29,30)31;1-22(2,3)11-16(19(28)33)31-20-18(25)21(30-12-29-20)32-9-5-6-17(32)13-7-8-14(15(24)10-13)23(4,26)27;1-13-4-5-14(10-28-13)11-32-21-19(24)20(29-12-30-21)31-8-2-3-18(31)15-6-7-16(17(23)9-15)22(25,26)27;1-14-4-5-15(11-27-14)12-31-21-19(23)20(28-13-29-21)30-10-2-3-18(30)16-6-8-17(9-7-16)22(24,25)26/h7-10,16,20-22H,5-6,11-15H2,1-4H3,(H,32,33,34);7-8,10,12,16-17H,5-6,9,11H2,1-4H3,(H2,28,33)(H,29,30,31);4-7,9-10,12,18H,2-3,8,11H2,1H3;4-9,11,13,18H,2-3,10,12H2,1H3
InChIKeyGUYKZQGZGOFMRN-UHFFFAOYSA-N
XLogP21.01
TPSA257.01 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.94
LogP ≤ 521.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

N-ethyl-2-[4-[[4-(4-ethylphenyl)-1-[[4-[[4-[4-[2-[4-[[4-(3-fluoro-4-propoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]morpholin-3-yl]-6-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]methyl]-5-methylpyrimidin-1-ium-2-yl]amino]pyrazol-1-yl]acetamide
CID 123292907
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157167560
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157428196
7-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-6-methoxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-6-propan-2-yloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(6-methoxy-2-methyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157449834
1-[(3R)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]-2-methylpropan-1-one;[(3R)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]-phenylmethanone;benzyl (3R)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;propan-2-yl (3R)-3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 157510790
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
N-[[2-(2-aminoprop-2-enyl)pyrimidin-5-yl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]benzonitrile;5-fluoro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine;3-[5-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]oxymethyl]pyrimidin-2-yl]prop-1-en-2-amine
CID 158299826
4-tert-butyl-2-(2-cyclohexylethyl)pyridine;6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158344466
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158435120
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;6-(3-tert-butylphenoxy)hexan-2-one;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;2-[(4-tert-butyl-2-pyridinyl)oxy]-N,N-dimethylethanamine;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158703441
4-tert-butyl-2-(oxan-4-ylmethyl)pyridine;4-tert-butyl-6-(oxan-4-ylmethyl)pyrimidine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[3-(4-tert-butylphenoxy)pyrrolidin-1-yl]ethanone;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;2-[(3-tert-butylphenyl)methyl-methylamino]acetamide;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine
CID 158943256
4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(4-methoxyoxan-4-yl)ethyl]pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine;5-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-N,N-dimethyloxolane-2-carboxamide;1-[6-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
CID 159058206

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone (CID 158373840) is 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(C(CC(C)(C)C)Nc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)C1.CC(C)(C)CC(Nc1ncnc(N2CCCC2c2ccc(C(C)(F)F)c(F)c2)c1F)C(N)=O.Cc1ccc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)c(F)c3)c2F)cn1.Cc1ccc(COc2ncnc(N3CCCC3c3ccc(C(F)(F)F)cc3)c2F)cn1.
What is the InChIKey of 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone?
The InChIKey is GUYKZQGZGOFMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F4N5O2.C23H29F4N5O.C22H19F5N4O.C22H20F4N4O/c1-17(37)35-12-13-38-22(15-35)20(14-26(2,3)4)34-24-23(28)25(33-16-32-24)36-11-5-6-21(36)18-7-9-19(10-8-18)27(29,30)31;1-22(2,3)11-16(19(28)33)31-20-18(25)21(30-12-29-20)32-9-5-6-17(32)13-7-8-14(15(24)10-13)23(4,26)27;1-13-4-5-14(10-28-13)11-32-21-19(24)20(29-12-30-21)31-8-2-3-18(31)15-6-7-16(17(23)9-15)22(25,26)27;1-14-4-5-15(11-27-14)12-31-21-19(23)20(28-13-29-21)30-10-2-3-18(30)16-6-8-17(9-7-16)22(24,25)26/h7-10,16,20-22H,5-6,11-15H2,1-4H3,(H,32,33,34);7-8,10,12,16-17H,5-6,9,11H2,1-4H3,(H2,28,33)(H,29,30,31);4-7,9-10,12,18H,2-3,8,11H2,1H3;4-9,11,13,18H,2-3,10,12H2,1H3.
What are the key properties of 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone?
2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone has a molecular weight of 1887.94 g/mol, XLogP of 21.01, 23 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[4-(1,1-difluoroethyl)-3-fluorophenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;5-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-6-[(6-methyl-3-pyridinyl)methoxy]pyrimidine;5-fluoro-4-[(6-methyl-3-pyridinyl)methoxy]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine;1-[2-[1-[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-3,3-dimethylbutyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 158373840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).