N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane

C121H160F2N30O14S2 — CID 159776806

IUPACN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane
SMILESC.CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)NCc1cccc(S(C)(=O)=O)c1.CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1.CN(C)C(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.CNC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.O=C(Nc1cnn(Cc2ccccc2F)c1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2.S
InChIInChI=1S/C26H35FN6O2.C25H28FN7O2.C24H32N6O3.C23H30N6O3.C22H29N5O4S.CH4.H2S/c1-26(2)21-14-28-24(29-19-9-12-35-13-10-19)31-23(21)17-33(26)25(34)30-20-7-5-11-32(16-20)15-18-6-3-4-8-22(18)27;26-21-5-2-1-4-17(21)14-32-15-19(12-28-32)30-24(34)33-16-22-20(25(33)8-3-9-25)13-27-23(31-22)29-18-6-10-35-11-7-18;1-24(2)19-14-25-22(27-18-8-10-33-11-9-18)28-20(19)15-30(24)23(32)26-13-16-6-5-7-17(12-16)21(31)29(3)4;1-23(2)18-13-25-21(27-17-7-9-32-10-8-17)28-19(18)14-29(23)22(31)26-12-15-5-4-6-16(11-15)20(30)24-3;1-22(2)18-13-23-20(25-16-7-9-31-10-8-16)26-19(18)14-27(22)21(28)24-12-15-5-4-6-17(11-15)32(3,29)30;;/h3-4,6,8,14,19-20H,5,7,9-13,15-17H2,1-2H3,(H,30,34)(H,28,29,31);1-2,4-5,12-13,15,18H,3,6-11,14,16H2,(H,30,34)(H,27,29,31);5-7,12,14,18H,8-11,13,15H2,1-4H3,(H,26,32)(H,25,27,28);4-6,11,13,17H,7-10,12,14H2,1-3H3,(H,24,30)(H,26,31)(H,25,27,28);4-6,11,13,16H,7-10,12,14H2,1-3H3,(H,24,28)(H,23,25,26);1H4;1H2/t20-;;;;;;/m0....../s1
InChIKeyNGVQSRLLCNKRLU-KAZOLZSWSA-N
MW2360.94 g/mol
LogP15.81
Rot. Bonds25

About N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane

N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane (PubChem CID 159776806) has the molecular formula C121H160F2N30O14S2 and a molecular weight of 2360.94 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane
PubChem CID159776806
Molecular FormulaC121H160F2N30O14S2
Molecular Weight2360.94 g/mol
Exact Mass2359.21
IUPAC NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane
SMILESC.CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)NCc1cccc(S(C)(=O)=O)c1.CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1.CN(C)C(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.CNC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.O=C(Nc1cnn(Cc2ccccc2F)c1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2.S
InChIInChI=1S/C26H35FN6O2.C25H28FN7O2.C24H32N6O3.C23H30N6O3.C22H29N5O4S.CH4.H2S/c1-26(2)21-14-28-24(29-19-9-12-35-13-10-19)31-23(21)17-33(26)25(34)30-20-7-5-11-32(16-20)15-18-6-3-4-8-22(18)27;26-21-5-2-1-4-17(21)14-32-15-19(12-28-32)30-24(34)33-16-22-20(25(33)8-3-9-25)13-27-23(31-22)29-18-6-10-35-11-7-18;1-24(2)19-14-25-22(27-18-8-10-33-11-9-18)28-20(19)15-30(24)23(32)26-13-16-6-5-7-17(12-16)21(31)29(3)4;1-23(2)18-13-25-21(27-17-7-9-32-10-8-17)28-19(18)14-29(23)22(31)26-12-15-5-4-6-16(11-15)20(30)24-3;1-22(2)18-13-23-20(25-16-7-9-31-10-8-16)26-19(18)14-27(22)21(28)24-12-15-5-4-6-17(11-15)32(3,29)30;;/h3-4,6,8,14,19-20H,5,7,9-13,15-17H2,1-2H3,(H,30,34)(H,28,29,31);1-2,4-5,12-13,15,18H,3,6-11,14,16H2,(H,30,34)(H,27,29,31);5-7,12,14,18H,8-11,13,15H2,1-4H3,(H,26,32)(H,25,27,28);4-6,11,13,17H,7-10,12,14H2,1-3H3,(H,24,30)(H,26,31)(H,25,27,28);4-6,11,13,16H,7-10,12,14H2,1-3H3,(H,24,28)(H,23,25,26);1H4;1H2/t20-;;;;;;/m0....../s1
InChIKeyNGVQSRLLCNKRLU-KAZOLZSWSA-N
XLogP15.81
TPSA501.51 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.94
LogP ≤ 515.81
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane 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-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[6-(cyclopropanecarbonylamino)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[6-(2-methylpropanoylamino)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 159079721
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrazolo[3,4-d]pyridazine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 159322771
1-ethyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;4-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(trifluoromethyl)benzamide;1-methyl-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(4-methylsulfonylphenyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-piperidin-1-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
CID 159625121
2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;N-methyl-N-(oxan-4-yl)-5-propan-2-ylpyrimidin-2-amine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;N-(5-propan-2-ylpyrimidin-2-yl)acetamide;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;N-(5-propan-2-ylpyrimidin-2-yl)thiophene-2-carboxamide;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 160181848
1-(2-hydroxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 160614614
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[6-(cyclopropanecarbonylamino)-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;N-[[6-[2-(dimethylamino)ethyl-methylsulfonylamino]-3-pyridinyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[2-(3-hydroxypropylsulfonyl)-4-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 160893913
8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide
CID 162136151
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 157087300
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide
CID 157138223
N-(2-aminoethyl)-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 157659537
5-(6-amino-3-pyridinyl)-N-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-amine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
CID 157815211

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane?
The IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane (CID 159776806) is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane.
What is the SMILES notation for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane?
The canonical SMILES for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane is C.CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)NCc1cccc(S(C)(=O)=O)c1.CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1.CN(C)C(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.CNC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.O=C(Nc1cnn(Cc2ccccc2F)c1)N1Cc2nc(NC3CCOCC3)ncc2C12CCC2.S.
What is the InChIKey of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane?
The InChIKey is NGVQSRLLCNKRLU-KAZOLZSWSA-N. The full InChI is InChI=1S/C26H35FN6O2.C25H28FN7O2.C24H32N6O3.C23H30N6O3.C22H29N5O4S.CH4.H2S/c1-26(2)21-14-28-24(29-19-9-12-35-13-10-19)31-23(21)17-33(26)25(34)30-20-7-5-11-32(16-20)15-18-6-3-4-8-22(18)27;26-21-5-2-1-4-17(21)14-32-15-19(12-28-32)30-24(34)33-16-22-20(25(33)8-3-9-25)13-27-23(31-22)29-18-6-10-35-11-7-18;1-24(2)19-14-25-22(27-18-8-10-33-11-9-18)28-20(19)15-30(24)23(32)26-13-16-6-5-7-17(12-16)21(31)29(3)4;1-23(2)18-13-25-21(27-17-7-9-32-10-8-17)28-19(18)14-29(23)22(31)26-12-15-5-4-6-16(11-15)20(30)24-3;1-22(2)18-13-23-20(25-16-7-9-31-10-8-16)26-19(18)14-27(22)21(28)24-12-15-5-4-6-17(11-15)32(3,29)30;;/h3-4,6,8,14,19-20H,5,7,9-13,15-17H2,1-2H3,(H,30,34)(H,28,29,31);1-2,4-5,12-13,15,18H,3,6-11,14,16H2,(H,30,34)(H,27,29,31);5-7,12,14,18H,8-11,13,15H2,1-4H3,(H,26,32)(H,25,27,28);4-6,11,13,17H,7-10,12,14H2,1-3H3,(H,24,30)(H,26,31)(H,25,27,28);4-6,11,13,16H,7-10,12,14H2,1-3H3,(H,24,28)(H,23,25,26);1H4;1H2/t20-;;;;;;/m0....../s1.
What are the key properties of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane?
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane has a molecular weight of 2360.94 g/mol, XLogP of 15.81, 25 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;methane;sulfane is sourced from PubChem (CID 159776806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).