4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide

C142H144F6N30O12S3 — CID 158793348

IUPAC4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)cn1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)n3)c2F)C1.CNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COCCOc1cccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C26H29FN6O3S.C25H27FN6O.C24H24FN5O3S.C24H24FN3O2.C22H20FN5O.C21H20FN5O2S/c1-18-16-21-22(29-18)6-7-23(25(21)27)31-24-8-9-28-26(32-24)30-19-4-2-5-20(17-19)36-13-3-10-33-11-14-37(34,35)15-12-33;1-16-14-19-20(28-16)9-10-21(24(19)26)30-23-11-12-27-25(31-23)29-18-7-4-6-17(15-18)22(33)8-5-13-32(2)3;1-16-13-17-5-6-21(23(25)20(17)14-16)28-22-7-8-26-24(29-22)27-18-3-2-4-19(15-18)34(31,32)30-9-11-33-12-10-30;1-16-12-21-22(27-16)7-6-18(24(21)25)15-19-8-9-26-23(28-19)14-17-4-3-5-20(13-17)30-11-10-29-2;1-13-9-18-19(26-13)5-4-16(22(18)23)11-17-7-8-24-21(28-17)10-15-3-6-20(25-12-15)27-14(2)29;1-13-10-14-6-7-18(20(22)17(14)11-13)26-19-8-9-24-21(27-19)25-15-4-3-5-16(12-15)30(28,29)23-2/h2,4-9,16-17,29H,3,10-15H2,1H3,(H2,28,30,31,32);4,6-7,9-12,14-15,28H,5,8,13H2,1-3H3,(H2,27,29,30,31);2-8,14-15H,9-13H2,1H3,(H2,26,27,28,29);3-9,12-13,27H,10-11,14-15H2,1-2H3;3-9,12,26H,10-11H2,1-2H3,(H,25,27,29);3-9,11-12,23H,10H2,1-2H3,(H2,24,25,26,27)
InChIKeyISOCBROFUUPKSH-UHFFFAOYSA-N
MW2673.10 g/mol
LogP26.42
Rot. Bonds43

About 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide

4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide (PubChem CID 158793348) has the molecular formula C142H144F6N30O12S3 and a molecular weight of 2673.10 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide
PubChem CID158793348
Molecular FormulaC142H144F6N30O12S3
Molecular Weight2673.10 g/mol
Exact Mass2671.06
IUPAC Name4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)cn1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)n3)c2F)C1.CNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COCCOc1cccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C26H29FN6O3S.C25H27FN6O.C24H24FN5O3S.C24H24FN3O2.C22H20FN5O.C21H20FN5O2S/c1-18-16-21-22(29-18)6-7-23(25(21)27)31-24-8-9-28-26(32-24)30-19-4-2-5-20(17-19)36-13-3-10-33-11-14-37(34,35)15-12-33;1-16-14-19-20(28-16)9-10-21(24(19)26)30-23-11-12-27-25(31-23)29-18-7-4-6-17(15-18)22(33)8-5-13-32(2)3;1-16-13-17-5-6-21(23(25)20(17)14-16)28-22-7-8-26-24(29-22)27-18-3-2-4-19(15-18)34(31,32)30-9-11-33-12-10-30;1-16-12-21-22(27-16)7-6-18(24(21)25)15-19-8-9-26-23(28-19)14-17-4-3-5-20(13-17)30-11-10-29-2;1-13-9-18-19(26-13)5-4-16(22(18)23)11-17-7-8-24-21(28-17)10-15-3-6-20(25-12-15)27-14(2)29;1-13-10-14-6-7-18(20(22)17(14)11-13)26-19-8-9-24-21(27-19)25-15-4-3-5-16(12-15)30(28,29)23-2/h2,4-9,16-17,29H,3,10-15H2,1H3,(H2,28,30,31,32);4,6-7,9-12,14-15,28H,5,8,13H2,1-3H3,(H2,27,29,30,31);2-8,14-15H,9-13H2,1H3,(H2,26,27,28,29);3-9,12-13,27H,10-11,14-15H2,1-2H3;3-9,12,26H,10-11H2,1-2H3,(H,25,27,29);3-9,11-12,23H,10H2,1-2H3,(H2,24,25,26,27)
InChIKeyISOCBROFUUPKSH-UHFFFAOYSA-N
XLogP26.42
TPSA534.23 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002673.10
LogP ≤ 526.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide 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

CID 157490184
CID 157490184
N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 161868202
(E)-N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylpropan-1-one;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol;2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157385006
4-[[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methylpropan-1-amine;4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1,1-dioxide;4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;sulfur dioxide
CID 157402943
CID 157813314
CID 157813314
2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N-(2-methoxyethyl)-3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzamide;5-[[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
CID 157983360
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900
4-[[4-(3-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-[[4-(5-methyl-2,3-dihydro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-[[4-(2-methyl-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;4-[[4-(5-methyl-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide
CID 158139518
4-[[4-(6-fluoro-1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;N-[[4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methylpropan-1-amine;4-[[4-(1H-inden-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1,1-dioxide;4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;sulfur dioxide
CID 158425733
2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 158430781
tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158611228

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide?
The IUPAC name of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide (CID 158793348) is 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)cn1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)n3)c2F)C1.CNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.COCCOc1cccc(Cc2nccc(Cc3ccc4[nH]c(C)cc4c3F)n2)c1.Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(C(=O)CCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Nc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide?
The InChIKey is ISOCBROFUUPKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3S.C25H27FN6O.C24H24FN5O3S.C24H24FN3O2.C22H20FN5O.C21H20FN5O2S/c1-18-16-21-22(29-18)6-7-23(25(21)27)31-24-8-9-28-26(32-24)30-19-4-2-5-20(17-19)36-13-3-10-33-11-14-37(34,35)15-12-33;1-16-14-19-20(28-16)9-10-21(24(19)26)30-23-11-12-27-25(31-23)29-18-7-4-6-17(15-18)22(33)8-5-13-32(2)3;1-16-13-17-5-6-21(23(25)20(17)14-16)28-22-7-8-26-24(29-22)27-18-3-2-4-19(15-18)34(31,32)30-9-11-33-12-10-30;1-16-12-21-22(27-16)7-6-18(24(21)25)15-19-8-9-26-23(28-19)14-17-4-3-5-20(13-17)30-11-10-29-2;1-13-9-18-19(26-13)5-4-16(22(18)23)11-17-7-8-24-21(28-17)10-15-3-6-20(25-12-15)27-14(2)29;1-13-10-14-6-7-18(20(22)17(14)11-13)26-19-8-9-24-21(27-19)25-15-4-3-5-16(12-15)30(28,29)23-2/h2,4-9,16-17,29H,3,10-15H2,1H3,(H2,28,30,31,32);4,6-7,9-12,14-15,28H,5,8,13H2,1-3H3,(H2,27,29,30,31);2-8,14-15H,9-13H2,1H3,(H2,26,27,28,29);3-9,12-13,27H,10-11,14-15H2,1-2H3;3-9,12,26H,10-11H2,1-2H3,(H,25,27,29);3-9,11-12,23H,10H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide?
4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide has a molecular weight of 2673.10 g/mol, XLogP of 26.42, 43 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;2-N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine;4-fluoro-5-[[2-[[3-(2-methoxyethoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;N-[5-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158793348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).