2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one

C135H136F21N35O10S4 — CID 158544628

IUPAC2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(CC(N)=O)nc3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(S(C)(=O)=O)cn3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(S(C)(=O)=O)nc3)c2F)C2CC2)cn1.CS(=O)(=O)Nc1ncc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cn1.CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)nc1
InChIInChI=1S/C24H25F3N6O.C23H22F4N6O.2C23H24F3N5O2S.C21H21F4N7O2S.C21H20F4N6O2S/c1-24(26,27)20-9-4-16(12-30-20)13-33(18-6-7-18)23-22(25)19(31-14-32-23)8-3-15-2-5-17(29-11-15)10-21(28)34;1-14(34)8-17-4-2-15(9-28-17)10-30-21-20(24)22(32-13-31-21)33(19-6-7-19)12-18-5-3-16(11-29-18)23(25,26)27;1-23(25,26)20-10-3-15(11-28-20)13-31(17-6-7-17)22-21(24)19(29-14-30-22)9-5-16-4-8-18(12-27-16)34(2,32)33;1-23(25,26)19-9-4-16(12-27-19)13-31(17-6-7-17)22-21(24)18(29-14-30-22)8-3-15-5-10-20(28-11-15)34(2,32)33;1-35(33,34)31-20-27-9-14(10-28-20)8-26-18-17(22)19(30-12-29-18)32(16-6-7-16)11-13-2-4-15(5-3-13)21(23,24)25;1-34(32,33)17-7-4-14(27-10-17)9-28-19-18(22)20(30-12-29-19)31(16-5-6-16)11-15-3-2-13(8-26-15)21(23,24)25/h2,4-5,9,11-12,14,18H,3,6-8,10,13H2,1H3,(H2,28,34);2-5,9,11,13,19H,6-8,10,12H2,1H3,(H,30,31,32);3-4,8,10-12,14,17H,5-7,9,13H2,1-2H3;4-5,9-12,14,17H,3,6-8,13H2,1-2H3;2-5,9-10,12,16H,6-8,11H2,1H3,(H,26,29,30)(H,27,28,31);2-4,7-8,10,12,16H,5-6,9,11H2,1H3,(H,28,29,30)
InChIKeyHOYMYQRCRZKOIV-UHFFFAOYSA-N
MW2936.03 g/mol
LogP22.77
Rot. Bonds54

About 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one

2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one (PubChem CID 158544628) has the molecular formula C135H136F21N35O10S4 and a molecular weight of 2936.03 g/mol. Its IUPAC name is 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one
PubChem CID158544628
Molecular FormulaC135H136F21N35O10S4
Molecular Weight2936.03 g/mol
Exact Mass2933.98
IUPAC Name2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(CC(N)=O)nc3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(S(C)(=O)=O)cn3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(S(C)(=O)=O)nc3)c2F)C2CC2)cn1.CS(=O)(=O)Nc1ncc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cn1.CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)nc1
InChIInChI=1S/C24H25F3N6O.C23H22F4N6O.2C23H24F3N5O2S.C21H21F4N7O2S.C21H20F4N6O2S/c1-24(26,27)20-9-4-16(12-30-20)13-33(18-6-7-18)23-22(25)19(31-14-32-23)8-3-15-2-5-17(29-11-15)10-21(28)34;1-14(34)8-17-4-2-15(9-28-17)10-30-21-20(24)22(32-13-31-21)33(19-6-7-19)12-18-5-3-16(11-29-18)23(25,26)27;1-23(25,26)20-10-3-15(11-28-20)13-31(17-6-7-17)22-21(24)19(29-14-30-22)9-5-16-4-8-18(12-27-16)34(2,32)33;1-23(25,26)19-9-4-16(12-27-19)13-31(17-6-7-17)22-21(24)18(29-14-30-22)8-3-15-5-10-20(28-11-15)34(2,32)33;1-35(33,34)31-20-27-9-14(10-28-20)8-26-18-17(22)19(30-12-29-18)32(16-6-7-16)11-13-2-4-15(5-3-13)21(23,24)25;1-34(32,33)17-7-4-14(27-10-17)9-28-19-18(22)20(30-12-29-19)31(16-5-6-16)11-15-3-2-13(8-26-15)21(23,24)25/h2,4-5,9,11-12,14,18H,3,6-8,10,13H2,1H3,(H2,28,34);2-5,9,11,13,19H,6-8,10,12H2,1H3,(H,30,31,32);3-4,8,10-12,14,17H,5-7,9,13H2,1-2H3;4-5,9-12,14,17H,3,6-8,13H2,1-2H3;2-5,9-10,12,16H,6-8,11H2,1H3,(H,26,29,30)(H,27,28,31);2-4,7-8,10,12,16H,5-6,9,11H2,1H3,(H,28,29,30)
InChIKeyHOYMYQRCRZKOIV-UHFFFAOYSA-N
XLogP22.77
TPSA573.64 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds54
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002936.03
LogP ≤ 522.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Analyze 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-[(2R)-butan-2-yl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methylpteridin-7-one;8-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methylpteridin-7-one;2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pteridin-7-one;2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-4-methyl-6-[(5-methylsulfonylpyrazin-2-yl)methylamino]-8-[(2S)-1,1,1-trifluoropropan-2-yl]pteridin-7-one
CID 157127545
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-[4-(trifluoromethylsulfonylmethyl)phenyl]ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
CID 157272245
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
CID 158517286
N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-[2-[4-(difluoromethylsulfonylmethyl)phenyl]ethyl]-5-fluoropyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
CID 158906413
8-[(2S)-butan-2-yl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methylpteridin-7-one;8-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[5-(ethylsulfonimidoyl)-2-pyridinyl]methylamino]-4-methylpteridin-7-one;8-[(1S)-1-cyclopropylethyl]-2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-4-methyl-6-[[5-(methylsulfonimidoyl)-2-pyridinyl]methylamino]pteridin-7-one;2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-4-methyl-6-[(5-methylsulfonylpyrimidin-2-yl)methylamino]-8-[(2S)-1,1,1-trifluoropropan-2-yl]pteridin-7-one
CID 160246340
(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]but-3-en-2-one;(E)-4-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-(4-methylsulfonylphenyl)but-3-en-2-one;4-[(E)-1-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-3-oxobut-1-en-2-yl]-N-cyclopropylbenzenesulfonamide;(E)-3-[2-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]-2-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 161024447
2-[5-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]acetamide;4-N-cyclopropyl-4-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine;4-N-cyclopropyl-4-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one
CID 161896334
N-[4-(6-amino-5-benzylsulfonyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-(piperidine-1-carbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[6-amino-5-(propan-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(cyclopropanecarbonyl)-3-pyridinyl]-2-pyridinyl]acetamide;1-[4-[5-(4,4-difluoropiperidin-1-yl)sulfonyl-3-pyridinyl]-2-pyridinyl]propan-2-one
CID 162193320
5-[4-[2-(6-Aminopyridin-3-yl)phenyl]-2-fluorophenyl]pyrimidin-2-amine;1-[4-[3-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-6-(trifluoromethyl)pyridin-2-yl]sulfonylpiperidin-1-yl]ethanone
CID 157616702
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(3-fluoro-2-pyridinyl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[6-(2-methyl-4-pyridinyl)-5-methylsulfonyl-3-pyridinyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(2-methyl-4-pyridinyl)pyrimidin-5-yl]acetamide;propan-2-yl 4-[6-[[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 158068525
N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone
CID 158440573
3-[3-[[4-(diethylamino)-3,5,6-trifluoro-2-pyridinyl]amino]-2-oxopropyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methane;2-[[6-[4-(methyl-methylidene-oxo-lambda6-sulfanyl)piperazin-1-yl]pyrimidin-4-yl]amino]-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide;2-[(6-methylpyrimidin-4-yl)amino]-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide;N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-[[3,5,6-trifluoro-4-(4-fluoro-4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetamide;3-[2-oxo-3-[(2,3,5-trifluoro-6-methylsulfonyl-4-pyridinyl)amino]propyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;3-[2-oxo-3-[(3,5,6-trifluoro-4-piperidin-1-yl-2-pyridinyl)amino]propyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 163492365

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one?
The IUPAC name of 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one (CID 158544628) is 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one.
What is the SMILES notation for 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one?
The canonical SMILES for 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one is CC(=O)Cc1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(CC(N)=O)nc3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(S(C)(=O)=O)cn3)c2F)C2CC2)cn1.CC(F)(F)c1ccc(CN(c2ncnc(CCc3ccc(S(C)(=O)=O)nc3)c2F)C2CC2)cn1.CS(=O)(=O)Nc1ncc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cn1.CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cn3)C3CC3)c2F)nc1.
What is the InChIKey of 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one?
The InChIKey is HOYMYQRCRZKOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O.C23H22F4N6O.2C23H24F3N5O2S.C21H21F4N7O2S.C21H20F4N6O2S/c1-24(26,27)20-9-4-16(12-30-20)13-33(18-6-7-18)23-22(25)19(31-14-32-23)8-3-15-2-5-17(29-11-15)10-21(28)34;1-14(34)8-17-4-2-15(9-28-17)10-30-21-20(24)22(32-13-31-21)33(19-6-7-19)12-18-5-3-16(11-29-18)23(25,26)27;1-23(25,26)20-10-3-15(11-28-20)13-31(17-6-7-17)22-21(24)19(29-14-30-22)9-5-16-4-8-18(12-27-16)34(2,32)33;1-23(25,26)19-9-4-16(12-27-19)13-31(17-6-7-17)22-21(24)18(29-14-30-22)8-3-15-5-10-20(28-11-15)34(2,32)33;1-35(33,34)31-20-27-9-14(10-28-20)8-26-18-17(22)19(30-12-29-18)32(16-6-7-16)11-13-2-4-15(5-3-13)21(23,24)25;1-34(32,33)17-7-4-14(27-10-17)9-28-19-18(22)20(30-12-29-19)31(16-5-6-16)11-15-3-2-13(8-26-15)21(23,24)25/h2,4-5,9,11-12,14,18H,3,6-8,10,13H2,1H3,(H2,28,34);2-5,9,11,13,19H,6-8,10,12H2,1H3,(H,30,31,32);3-4,8,10-12,14,17H,5-7,9,13H2,1-2H3;4-5,9-12,14,17H,3,6-8,13H2,1-2H3;2-5,9-10,12,16H,6-8,11H2,1H3,(H,26,29,30)(H,27,28,31);2-4,7-8,10,12,16H,5-6,9,11H2,1H3,(H,28,29,30).
What are the key properties of 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one?
2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one has a molecular weight of 2936.03 g/mol, XLogP of 22.77, 54 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 158544628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).