N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

C116H147N29O14S — CID 158655324

IUPACN-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.CC1(C)c2cnc(NC3CCC(=O)NC3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CN1CC(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)CCC1=O.CN1CCC(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)CC1=O.Cc1ccc(-c2csc(CNC(=O)N3Cc4nc(NC5CCOCC5)ncc4C3(C)C)n2)cc1
InChIInChI=1S/C25H30N6O2S.2C23H30N6O3.C23H29N5O3.C22H28N6O3/c1-16-4-6-17(7-5-16)21-15-34-22(29-21)13-27-24(32)31-14-20-19(25(31,2)3)12-26-23(30-20)28-18-8-10-33-11-9-18;1-23(2)17-11-24-21(25-16-9-10-20(31)28(3)12-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15;1-23(2)17-12-24-21(25-16-9-10-28(3)20(31)11-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15;1-15(29)17-6-4-5-16(11-17)12-25-22(30)28-14-20-19(23(28,2)3)13-24-21(27-20)26-18-7-9-31-10-8-18;1-22(2)16-11-24-20(25-15-8-9-19(30)23-10-15)26-17(16)12-28(22)21(31)27-18(13-29)14-6-4-3-5-7-14/h4-7,12,15,18H,8-11,13-14H2,1-3H3,(H,27,32)(H,26,28,30);4-8,11,16,19,30H,9-10,12-14H2,1-3H3,(H,27,32)(H,24,25,26);4-8,12,16,19,30H,9-11,13-14H2,1-3H3,(H,27,32)(H,24,25,26);4-6,11,13,18H,7-10,12,14H2,1-3H3,(H,25,30)(H,24,26,27);3-7,11,15,18,29H,8-10,12-13H2,1-2H3,(H,23,30)(H,27,31)(H,24,25,26)/t;2*16?,19-;;15?,18-/m.11.1/s1
InChIKeyICBFDXRRWBCIEZ-JWEKREPESA-N
MW2203.71 g/mol
LogP13.36
Rot. Bonds25

About N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 158655324) has the molecular formula C116H147N29O14S and a molecular weight of 2203.71 g/mol. Its IUPAC name is N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID158655324
Molecular FormulaC116H147N29O14S
Molecular Weight2203.71 g/mol
Exact Mass2202.14
IUPAC NameN-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.CC1(C)c2cnc(NC3CCC(=O)NC3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CN1CC(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)CCC1=O.CN1CCC(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)CC1=O.Cc1ccc(-c2csc(CNC(=O)N3Cc4nc(NC5CCOCC5)ncc4C3(C)C)n2)cc1
InChIInChI=1S/C25H30N6O2S.2C23H30N6O3.C23H29N5O3.C22H28N6O3/c1-16-4-6-17(7-5-16)21-15-34-22(29-21)13-27-24(32)31-14-20-19(25(31,2)3)12-26-23(30-20)28-18-8-10-33-11-9-18;1-23(2)17-11-24-21(25-16-9-10-20(31)28(3)12-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15;1-23(2)17-12-24-21(25-16-9-10-28(3)20(31)11-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15;1-15(29)17-6-4-5-16(11-17)12-25-22(30)28-14-20-19(23(28,2)3)13-24-21(27-20)26-18-7-9-31-10-8-18;1-22(2)16-11-24-20(25-15-8-9-19(30)23-10-15)26-17(16)12-28(22)21(31)27-18(13-29)14-6-4-3-5-7-14/h4-7,12,15,18H,8-11,13-14H2,1-3H3,(H,27,32)(H,26,28,30);4-8,11,16,19,30H,9-10,12-14H2,1-3H3,(H,27,32)(H,24,25,26);4-8,12,16,19,30H,9-11,13-14H2,1-3H3,(H,27,32)(H,24,25,26);4-6,11,13,18H,7-10,12,14H2,1-3H3,(H,25,30)(H,24,26,27);3-7,11,15,18,29H,8-10,12-13H2,1-2H3,(H,23,30)(H,27,31)(H,24,25,26)/t;2*16?,19-;;15?,18-/m.11.1/s1
InChIKeyICBFDXRRWBCIEZ-JWEKREPESA-N
XLogP13.36
TPSA529.58 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.71
LogP ≤ 513.36
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Analyze N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(morpholin-4-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(4-morpholin-4-ylphenyl)-3-[(4-pyrimidin-4-yl-1,3-thiazol-2-yl)amino]benzamide;4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide;4-[[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoyl]amino]methyl]piperazine-1-carboxamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-(pyrrolidin-3-ylmethyl)benzamide
CID 157174676
[2-amino-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 157198060
[2-Amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 157262879
3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-[2-(dimethylamino)ethyl]benzamide;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]-4-hydroxybutan-1-one;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl acetate;1-[3-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]pent-4-en-1-one;2-butylsulfinyl-4-[4-[(dimethylamino)methyl]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane
CID 157337325
N-[5-acetyl-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[5-acetyl-1-[(3-methylphenyl)methyl]piperidin-3-yl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(5S)-5-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(5R)-5-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 157423222
1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3R)-oxolan-3-yl]propan-1-one;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3S)-oxolan-3-yl]propan-1-one;(4S)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;[(3R)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 157552845
5-[4-[4-(hydroxymethyl)phenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylimidazol-1-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-ylmethyl)phenyl]butyl]-3H-isoindol-1-one
CID 157700592
[2-amino-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylpropan-1-one;1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylphenyl)butan-1-one;1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;methane
CID 157841934
1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3R)-oxolan-3-yl]propan-1-one;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-[(3S)-oxolan-3-yl]propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;(4S)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;[(3R)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;methane
CID 158550091
azetidin-1-yl-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxan-4-yl)propan-1-one;(4R)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;3-methyl-1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone
CID 158580773
[2-Amino-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-pyrrolidin-1-ylmethanone;1-[5-[1-(3-fluorophenyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-(oxolan-3-yl)propan-1-one;4-hydroxy-1-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-phenylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone;(3-hydroxypyrrolidin-1-yl)-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 158671991
CID 158724739
CID 158724739

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 158655324) is N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is CC(=O)c1cccc(CNC(=O)N2Cc3nc(NC4CCOCC4)ncc3C2(C)C)c1.CC1(C)c2cnc(NC3CCC(=O)NC3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CN1CC(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)CCC1=O.CN1CCC(Nc2ncc3c(n2)CN(C(=O)N[C@H](CO)c2ccccc2)C3(C)C)CC1=O.Cc1ccc(-c2csc(CNC(=O)N3Cc4nc(NC5CCOCC5)ncc4C3(C)C)n2)cc1.
What is the InChIKey of N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is ICBFDXRRWBCIEZ-JWEKREPESA-N. The full InChI is InChI=1S/C25H30N6O2S.2C23H30N6O3.C23H29N5O3.C22H28N6O3/c1-16-4-6-17(7-5-16)21-15-34-22(29-21)13-27-24(32)31-14-20-19(25(31,2)3)12-26-23(30-20)28-18-8-10-33-11-9-18;1-23(2)17-11-24-21(25-16-9-10-20(31)28(3)12-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15;1-23(2)17-12-24-21(25-16-9-10-28(3)20(31)11-16)26-18(17)13-29(23)22(32)27-19(14-30)15-7-5-4-6-8-15;1-15(29)17-6-4-5-16(11-17)12-25-22(30)28-14-20-19(23(28,2)3)13-24-21(27-20)26-18-7-9-31-10-8-18;1-22(2)16-11-24-20(25-15-8-9-19(30)23-10-15)26-17(16)12-28(22)21(31)27-18(13-29)14-6-4-3-5-7-14/h4-7,12,15,18H,8-11,13-14H2,1-3H3,(H,27,32)(H,26,28,30);4-8,11,16,19,30H,9-10,12-14H2,1-3H3,(H,27,32)(H,24,25,26);4-8,12,16,19,30H,9-11,13-14H2,1-3H3,(H,27,32)(H,24,25,26);4-6,11,13,18H,7-10,12,14H2,1-3H3,(H,25,30)(H,24,26,27);3-7,11,15,18,29H,8-10,12-13H2,1-2H3,(H,23,30)(H,27,31)(H,24,25,26)/t;2*16?,19-;;15?,18-/m.11.1/s1.
What are the key properties of N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 2203.71 g/mol, XLogP of 13.36, 25 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetylphenyl)methyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;5,5-dimethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-2-oxopiperidin-4-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-2-[(6-oxopiperidin-3-yl)amino]-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 158655324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).