bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane

C111H142Cl3N27O11S2 — CID 161165805

IUPACbis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
SMILESCC1(C)c2cnc(NCC3CCCCO3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CC1c2cnc(NC3CCOCC3)nc2CN1C(=O)N[C@H](C)c1cccc(Cl)c1.C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1.C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1.Cn1ccc(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)n1.S.S
InChIInChI=1S/2C23H28ClN5O2.C23H31N5O3.C21H26ClN5O2.C21H25N7O2.2H2S/c2*1-14(16-3-2-4-17(24)11-16)26-23(30)29-13-20-19(21(29)15-5-6-15)12-25-22(28-20)27-18-7-9-31-10-8-18;1-23(2)18-13-25-21(24-12-17-10-6-7-11-31-17)26-19(18)14-28(23)22(30)27-20(15-29)16-8-4-3-5-9-16;1-13(15-4-3-5-16(22)10-15)24-21(28)27-12-19-18(14(27)2)11-23-20(26-19)25-17-6-8-29-9-7-17;1-21(2)15-11-22-19(25-18-9-10-27(3)26-18)23-16(15)12-28(21)20(30)24-17(13-29)14-7-5-4-6-8-14;;/h2*2-4,11-12,14-15,18,21H,5-10,13H2,1H3,(H,26,30)(H,25,27,28);3-5,8-9,13,17,20,29H,6-7,10-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26);3-5,10-11,13-14,17H,6-9,12H2,1-2H3,(H,24,28)(H,23,25,26);4-11,17,29H,12-13H2,1-3H3,(H,24,30)(H,22,23,25,26);2*1H2/t2*14-,21?;17?,20-;13-,14?;17-;;/m11111../s1
InChIKeyUQNFFMKACBFDCK-WBDZPVNQSA-N
MW2201.03 g/mol
LogP18.61
Rot. Bonds25

About bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane

bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane (PubChem CID 161165805) has the molecular formula C111H142Cl3N27O11S2 and a molecular weight of 2201.03 g/mol. Its IUPAC name is bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane.

Molecular Properties

Compound Namebis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
PubChem CID161165805
Molecular FormulaC111H142Cl3N27O11S2
Molecular Weight2201.03 g/mol
Exact Mass2197.99
IUPAC Namebis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
SMILESCC1(C)c2cnc(NCC3CCCCO3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CC1c2cnc(NC3CCOCC3)nc2CN1C(=O)N[C@H](C)c1cccc(Cl)c1.C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1.C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1.Cn1ccc(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)n1.S.S
InChIInChI=1S/2C23H28ClN5O2.C23H31N5O3.C21H26ClN5O2.C21H25N7O2.2H2S/c2*1-14(16-3-2-4-17(24)11-16)26-23(30)29-13-20-19(21(29)15-5-6-15)12-25-22(28-20)27-18-7-9-31-10-8-18;1-23(2)18-13-25-21(24-12-17-10-6-7-11-31-17)26-19(18)14-28(23)22(30)27-20(15-29)16-8-4-3-5-9-16;1-13(15-4-3-5-16(22)10-15)24-21(28)27-12-19-18(14(27)2)11-23-20(26-19)25-17-6-8-29-9-7-17;1-21(2)15-11-22-19(25-18-9-10-27(3)26-18)23-16(15)12-28(21)20(30)24-17(13-29)14-7-5-4-6-8-14;;/h2*2-4,11-12,14-15,18,21H,5-10,13H2,1H3,(H,26,30)(H,25,27,28);3-5,8-9,13,17,20,29H,6-7,10-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26);3-5,10-11,13-14,17H,6-9,12H2,1-2H3,(H,24,28)(H,23,25,26);4-11,17,29H,12-13H2,1-3H3,(H,24,30)(H,22,23,25,26);2*1H2/t2*14-,21?;17?,20-;13-,14?;17-;;/m11111../s1
InChIKeyUQNFFMKACBFDCK-WBDZPVNQSA-N
XLogP18.61
TPSA445.95 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002201.03
LogP ≤ 518.61
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane with MolForge

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Related Compounds

1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-cyclopropyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158670830
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(3-methyltriazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methyltriazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(5-fluoro-1H-indol-2-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157310790
(4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-4-ol;[(3R)-3-[[[7-[(2-chlorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol
CID 157353864
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,4-dimethylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-ethyl-5-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-ethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-4-[5-fluoro-2-[[(2R)-2-(hydroxymethyl)oxan-4-yl]amino]pyrimidin-4-yl]pyridin-2-one
CID 157752525
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methyltriazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-cyclopropyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(5-fluoro-1H-indol-2-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157945002
(3S,4S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-(hydroxymethyl)piperidin-4-ol;(4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]-4-(hydroxymethyl)piperidin-4-ol;(4R)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidin-4-ol;7-N-benzyl-5-N-[(4R)-4-methylpiperidin-3-yl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;[(3R)-3-[[[7-[(2-chlorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[7-(cyclohexylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol;[(3R)-3-[[[3-propan-2-yl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidin-3-yl]methanol
CID 158015879
2-[(1-acetylazetidin-3-yl)amino]-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;2-anilino-5,5-dimethyl-N-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5-cyclopropyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;2-[(1,1-dioxothiolan-3-yl)amino]-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
CID 158305343
1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane
CID 158329150
1-[4-[6-Chloro-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;tetrakis(4-(4,6-dichloropyrazolo[5,4-d]pyrimidin-1-yl)cyclohexan-1-ol);1-[4-[1-(4-hydroxycyclohexyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-3-methylurea;1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 159947581
1-[(1S)-2-amino-1-(4-chloro-3-fluorophenyl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-benzyl-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1R,3R)-1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S,3R)-1-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-chlorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chlorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 160144969
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(3-cyclopropyl-1H-indol-6-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(5-fluoro-1H-indol-2-yl)ethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(6-fluoro-1H-indol-2-yl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 160933015
(4E)-4-[[5-[(3-chloro-2-methylphenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,3-dimethylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 161460963

Frequently Asked Questions

What is the IUPAC name of bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?
The IUPAC name of bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane (CID 161165805) is bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane.
What is the SMILES notation for bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?
The canonical SMILES for bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane is CC1(C)c2cnc(NCC3CCCCO3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CC1c2cnc(NC3CCOCC3)nc2CN1C(=O)N[C@H](C)c1cccc(Cl)c1.C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1.C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1C1CC1)c1cccc(Cl)c1.Cn1ccc(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)n1.S.S.
What is the InChIKey of bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?
The InChIKey is UQNFFMKACBFDCK-WBDZPVNQSA-N. The full InChI is InChI=1S/2C23H28ClN5O2.C23H31N5O3.C21H26ClN5O2.C21H25N7O2.2H2S/c2*1-14(16-3-2-4-17(24)11-16)26-23(30)29-13-20-19(21(29)15-5-6-15)12-25-22(28-20)27-18-7-9-31-10-8-18;1-23(2)18-13-25-21(24-12-17-10-6-7-11-31-17)26-19(18)14-28(23)22(30)27-20(15-29)16-8-4-3-5-9-16;1-13(15-4-3-5-16(22)10-15)24-21(28)27-12-19-18(14(27)2)11-23-20(26-19)25-17-6-8-29-9-7-17;1-21(2)15-11-22-19(25-18-9-10-27(3)26-18)23-16(15)12-28(21)20(30)24-17(13-29)14-7-5-4-6-8-14;;/h2*2-4,11-12,14-15,18,21H,5-10,13H2,1H3,(H,26,30)(H,25,27,28);3-5,8-9,13,17,20,29H,6-7,10-12,14-15H2,1-2H3,(H,27,30)(H,24,25,26);3-5,10-11,13-14,17H,6-9,12H2,1-2H3,(H,24,28)(H,23,25,26);4-11,17,29H,12-13H2,1-3H3,(H,24,30)(H,22,23,25,26);2*1H2/t2*14-,21?;17?,20-;13-,14?;17-;;/m11111../s1.
What are the key properties of bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?
bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane has a molecular weight of 2201.03 g/mol, XLogP of 18.61, 25 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(1R)-1-(3-chlorophenyl)ethyl]-5-cyclopropyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide);N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methyl-2-(oxan-4-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methylpyrazol-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-(oxan-2-ylmethylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane is sourced from PubChem (CID 161165805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).