1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide

C158H190N36O15S — CID 158006476

IUPAC1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(N)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(N)=O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3[nH]ccc23)ncn1.CS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/2C24H30N6O2.C23H29N3O3S.2C22H26N6O2.C22H25N5O3.C21H24N4O/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;1-30(28,29)20-11-9-17(10-12-20)13-22(27)21-14-23(25-16-24-21)26(15-18-7-8-18)19-5-3-2-4-6-19;1-2-7-27(12-15-3-4-15)22-10-18(24-14-25-22)20(29)9-16-5-6-19-17(8-16)11-26-28(19)13-21(23)30;1-2-7-27(11-15-3-4-15)22-10-19(24-14-25-22)20(29)9-16-5-6-18-17(8-16)12-28(26-18)13-21(23)30;1-2-7-26(12-15-3-4-15)21-10-18(23-14-24-21)20(28)9-16-5-6-19-17(8-16)11-25-27(19)13-22(29)30;1-2-10-25(13-15-6-7-15)21-12-19(23-14-24-21)20(26)11-16-4-3-5-18-17(16)8-9-22-18/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;9-12,14,16,18-19H,2-8,13,15H2,1H3;5-6,8,10-11,14-15H,2-4,7,9,12-13H2,1H3,(H2,23,30);5-6,8,10,12,14-15H,2-4,7,9,11,13H2,1H3,(H2,23,30);5-6,8,10-11,14-15H,2-4,7,9,12-13H2,1H3,(H,29,30);3-5,8-9,12,14-15,22H,2,6-7,10-11,13H2,1H3
InChIKeyFEIUIEPDDXMCBJ-UHFFFAOYSA-N
MW2865.56 g/mol
LogP21.49
Rot. Bonds66

About 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide

1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide (PubChem CID 158006476) has the molecular formula C158H190N36O15S and a molecular weight of 2865.56 g/mol. Its IUPAC name is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide
PubChem CID158006476
Molecular FormulaC158H190N36O15S
Molecular Weight2865.56 g/mol
Exact Mass2863.49
IUPAC Name1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(N)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(N)=O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3[nH]ccc23)ncn1.CS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1
InChIInChI=1S/2C24H30N6O2.C23H29N3O3S.2C22H26N6O2.C22H25N5O3.C21H24N4O/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;1-30(28,29)20-11-9-17(10-12-20)13-22(27)21-14-23(25-16-24-21)26(15-18-7-8-18)19-5-3-2-4-6-19;1-2-7-27(12-15-3-4-15)22-10-18(24-14-25-22)20(29)9-16-5-6-19-17(8-16)11-26-28(19)13-21(23)30;1-2-7-27(11-15-3-4-15)22-10-19(24-14-25-22)20(29)9-16-5-6-18-17(8-16)12-28(26-18)13-21(23)30;1-2-7-26(12-15-3-4-15)21-10-18(23-14-24-21)20(28)9-16-5-6-19-17(8-16)11-25-27(19)13-22(29)30;1-2-10-25(13-15-6-7-15)21-12-19(23-14-24-21)20(26)11-16-4-3-5-18-17(16)8-9-22-18/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;9-12,14,16,18-19H,2-8,13,15H2,1H3;5-6,8,10-11,14-15H,2-4,7,9,12-13H2,1H3,(H2,23,30);5-6,8,10,12,14-15H,2-4,7,9,11,13H2,1H3,(H2,23,30);5-6,8,10-11,14-15H,2-4,7,9,12-13H2,1H3,(H,29,30);3-5,8-9,12,14-15,22H,2,6-7,10-11,13H2,1H3
InChIKeyFEIUIEPDDXMCBJ-UHFFFAOYSA-N
XLogP21.49
TPSA625.76 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds66
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002865.56
LogP ≤ 521.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Analyze 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

1,3-dimethyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;2,5-dimethyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-3-carboxamide;1-ethyl-3-methyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]pyrazole-4-carboxamide;3-methyl-N-[6-methyl-5-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-yl-3H-benzimidazol-5-yl)-3-pyridinyl]-3-methylsulfonylbenzamide;N-[4-methyl-3-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 158658190
N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 161558877
(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-ethylsulfonylphenyl)-2-pyridinyl]pentan-2-one;1-[4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]phenyl]sulfonyl-4-methylpentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzenesulfonamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]ethyl]acetamide
CID 161719034
(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-[3-(4-ethylsulfonylphenyl)-2-pyridinyl]pentan-2-one;1-[4-[2-[(2R)-5-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]phenyl]sulfonyl-4-methylpentan-2-one;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(5-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzenesulfonamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-(5-fluoro-1H-indol-3-yl)-5-(3-fluoro-5-methylphenyl)-4-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pentan-2-one
CID 162101451
2-[3-acetyl-7-ethenyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(5S)-1-[(1R,3S)-2-[2-[3-acetyl-7-ethenyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]-5,9-dimethyldec-8-en-3-one;(1R,6S,9E,22R,25S)-16-acetyl-6-methyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-9,11(26),12,14,16-pentaene-4,20-dione;(1R,6S,22R,25S)-16-acetyl-6-methyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;(5S)-5,9-dimethyl-1-[(1R,3S,5R)-3-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]dec-8-en-3-one
CID 167597745
N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate
CID 157225826
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-[2-methyl-5-(methylsulfamoyl)phenyl]phenyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(2-methyl-5-sulfamoylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 157235962
5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[4-(dimethylamino)piperidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[3-(dimethylamino)propyl-methylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 157241472
2-(3H-benzimidazol-5-yl)-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-inden-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-isoindol-4-yl)ethanone;4-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]butan-2-one;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]propan-2-one;5-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylpentan-2-one;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methane
CID 157428308
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]ethanone;3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoic acid;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indazol-4-yl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylphenyl]ethanone;1-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl]piperidine-4-carboxylic acid;3-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoic acid
CID 157669790
N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-inden-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-isoindol-4-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-[[methyl(2-oxopropyl)amino]methyl]phenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[3-(3-oxobutyl)-2H-indazol-5-yl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-(4-oxopentylsulfonyl)phenyl]pyrimidine-4-carboxamide;methyl 3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoate
CID 157952078
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-indazol-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoic acid;3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoic acid;2-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate
CID 157962131

Frequently Asked Questions

What is the IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide (CID 158006476) is 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide is CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(=O)O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3c(cnn3CC(N)=O)c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2ccc3nn(CC(N)=O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Cc2cccc3[nH]ccc23)ncn1.CS(=O)(=O)c1ccc(CC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.
What is the InChIKey of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is FEIUIEPDDXMCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30N6O2.C23H29N3O3S.2C22H26N6O2.C22H25N5O3.C21H24N4O/c1-4-9-29(14-17-5-6-17)23-12-20(25-16-26-23)22(31)11-18-7-8-21-19(10-18)13-27-30(21)15-24(32)28(2)3;1-4-9-29(13-17-5-6-17)23-12-21(25-16-26-23)22(31)11-18-7-8-20-19(10-18)14-30(27-20)15-24(32)28(2)3;1-30(28,29)20-11-9-17(10-12-20)13-22(27)21-14-23(25-16-24-21)26(15-18-7-8-18)19-5-3-2-4-6-19;1-2-7-27(12-15-3-4-15)22-10-18(24-14-25-22)20(29)9-16-5-6-19-17(8-16)11-26-28(19)13-21(23)30;1-2-7-27(11-15-3-4-15)22-10-19(24-14-25-22)20(29)9-16-5-6-18-17(8-16)12-28(26-18)13-21(23)30;1-2-7-26(12-15-3-4-15)21-10-18(23-14-24-21)20(28)9-16-5-6-19-17(8-16)11-25-27(19)13-22(29)30;1-2-10-25(13-15-6-7-15)21-12-19(23-14-24-21)20(26)11-16-4-3-5-18-17(16)8-9-22-18/h7-8,10,12-13,16-17H,4-6,9,11,14-15H2,1-3H3;7-8,10,12,14,16-17H,4-6,9,11,13,15H2,1-3H3;9-12,14,16,18-19H,2-8,13,15H2,1H3;5-6,8,10-11,14-15H,2-4,7,9,12-13H2,1H3,(H2,23,30);5-6,8,10,12,14-15H,2-4,7,9,11,13H2,1H3,(H2,23,30);5-6,8,10-11,14-15H,2-4,7,9,12-13H2,1H3,(H,29,30);3-5,8-9,12,14-15,22H,2,6-7,10-11,13H2,1H3.
What are the key properties of 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide?
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 2865.56 g/mol, XLogP of 21.49, 66 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(4-methylsulfonylphenyl)ethanone;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetic acid;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]-N,N-dimethylacetamide;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 158006476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).