N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide

C197H212F2N56O12 — CID 158898889

IUPACN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2C)ccc1-c1nn(C2CCCC2)c2ncnc(N)c12.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1CO.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)nn1.Cc1ccccc1C(=O)NCc1cnc(-c2nn(C3CCCC3)c3ncnc(N)c23)cn1.Cc1ccccc1C(=O)NCc1cnc(-c2nn(C3CCCC3)c3ncnc(N)c23)cn1.Nc1ncnc2c1c(-c1ccc(CNC(=O)C3CCC(F)(F)CN3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)C3COc4ccccc4N3)cc1)nn2C1CCCC1
InChIInChI=1S/C27H30N6O2.C26H27N7O2.2C26H28N6O2.C23H27F2N7O.3C23H24N8O/c1-17-7-3-6-10-21(17)27(34)29-14-18-11-12-22(19(13-18)15-35-2)24-23-25(28)30-16-31-26(23)33(32-24)20-8-4-5-9-20;27-24-22-23(32-33(18-5-1-2-6-18)25(22)30-15-29-24)17-11-9-16(10-12-17)13-28-26(34)20-14-35-21-8-4-3-7-19(21)31-20;1-16-6-2-5-9-20(16)26(34)30-21(14-33)17-10-12-18(13-11-17)23-22-24(27)28-15-29-25(22)32(31-23)19-7-3-4-8-19;1-16-6-2-5-9-21(16)26(34)28-13-18-11-10-17(12-19(18)14-33)23-22-24(27)29-15-30-25(22)32(31-23)20-7-3-4-8-20;24-23(25)10-9-17(28-12-23)22(33)27-11-14-5-7-15(8-6-14)19-18-20(26)29-13-30-21(18)32(31-19)16-3-1-2-4-16;2*1-14-6-2-5-9-17(14)23(32)27-11-15-10-26-18(12-25-15)20-19-21(24)28-13-29-22(19)31(30-20)16-7-3-4-8-16;1-14-6-2-5-9-17(14)23(32)25-12-15-10-11-18(29-28-15)20-19-21(24)26-13-27-22(19)31(30-20)16-7-3-4-8-16/h3,6-7,10-13,16,20H,4-5,8-9,14-15H2,1-2H3,(H,29,34)(H2,28,30,31);3-4,7-12,15,18,20,31H,1-2,5-6,13-14H2,(H,28,34)(H2,27,29,30);2,5-6,9-13,15,19,21,33H,3-4,7-8,14H2,1H3,(H,30,34)(H2,27,28,29);2,5-6,9-12,15,20,33H,3-4,7-8,13-14H2,1H3,(H,28,34)(H2,27,29,30);5-8,13,16-17,28H,1-4,9-12H2,(H,27,33)(H2,26,29,30);2*2,5-6,9-10,12-13,16H,3-4,7-8,11H2,1H3,(H,27,32)(H2,24,28,29);2,5-6,9-11,13,16H,3-4,7-8,12H2,1H3,(H,25,32)(H2,24,26,27)
InChIKeyJFEHLKSATOWOTM-UHFFFAOYSA-N
MW3594.24 g/mol
LogP28.99
Rot. Bonds44

About N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide

N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide (PubChem CID 158898889) has the molecular formula C197H212F2N56O12 and a molecular weight of 3594.24 g/mol. Its IUPAC name is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide
PubChem CID158898889
Molecular FormulaC197H212F2N56O12
Molecular Weight3594.24 g/mol
Exact Mass3591.77
IUPAC NameN-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide
SMILESCOCc1cc(CNC(=O)c2ccccc2C)ccc1-c1nn(C2CCCC2)c2ncnc(N)c12.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1CO.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)nn1.Cc1ccccc1C(=O)NCc1cnc(-c2nn(C3CCCC3)c3ncnc(N)c23)cn1.Cc1ccccc1C(=O)NCc1cnc(-c2nn(C3CCCC3)c3ncnc(N)c23)cn1.Nc1ncnc2c1c(-c1ccc(CNC(=O)C3CCC(F)(F)CN3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)C3COc4ccccc4N3)cc1)nn2C1CCCC1
InChIInChI=1S/C27H30N6O2.C26H27N7O2.2C26H28N6O2.C23H27F2N7O.3C23H24N8O/c1-17-7-3-6-10-21(17)27(34)29-14-18-11-12-22(19(13-18)15-35-2)24-23-25(28)30-16-31-26(23)33(32-24)20-8-4-5-9-20;27-24-22-23(32-33(18-5-1-2-6-18)25(22)30-15-29-24)17-11-9-16(10-12-17)13-28-26(34)20-14-35-21-8-4-3-7-19(21)31-20;1-16-6-2-5-9-20(16)26(34)30-21(14-33)17-10-12-18(13-11-17)23-22-24(27)28-15-29-25(22)32(31-23)19-7-3-4-8-19;1-16-6-2-5-9-21(16)26(34)28-13-18-11-10-17(12-19(18)14-33)23-22-24(27)29-15-30-25(22)32(31-23)20-7-3-4-8-20;24-23(25)10-9-17(28-12-23)22(33)27-11-14-5-7-15(8-6-14)19-18-20(26)29-13-30-21(18)32(31-19)16-3-1-2-4-16;2*1-14-6-2-5-9-17(14)23(32)27-11-15-10-26-18(12-25-15)20-19-21(24)28-13-29-22(19)31(30-20)16-7-3-4-8-16;1-14-6-2-5-9-17(14)23(32)25-12-15-10-11-18(29-28-15)20-19-21(24)26-13-27-22(19)31(30-20)16-7-3-4-8-16/h3,6-7,10-13,16,20H,4-5,8-9,14-15H2,1-2H3,(H,29,34)(H2,28,30,31);3-4,7-12,15,18,20,31H,1-2,5-6,13-14H2,(H,28,34)(H2,27,29,30);2,5-6,9-13,15,19,21,33H,3-4,7-8,14H2,1H3,(H,30,34)(H2,27,28,29);2,5-6,9-12,15,20,33H,3-4,7-8,13-14H2,1H3,(H,28,34)(H2,27,29,30);5-8,13,16-17,28H,1-4,9-12H2,(H,27,33)(H2,26,29,30);2*2,5-6,9-10,12-13,16H,3-4,7-8,11H2,1H3,(H,27,32)(H2,24,28,29);2,5-6,9-11,13,16H,3-4,7-8,12H2,1H3,(H,25,32)(H2,24,26,27)
InChIKeyJFEHLKSATOWOTM-UHFFFAOYSA-N
XLogP28.99
TPSA950.08 Ų
H-Bond Donors20
H-Bond Acceptors60
Rotatable Bonds44
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003594.24
LogP ≤ 528.99
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1060

Analyze N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide with MolForge

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Related Compounds

7-N-[(1S)-5-[(2S)-2-acetylpyrrolidine-1-carbonyl]-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;2-hydroxybutyl (1S)-1-[[3-fluoro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;7-N-[(1S)-4-methyl-5-(2-oxopropylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90800002
CID 157116233
CID 157116233
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157201515
CID 157216748
CID 157216748
CID 157289626
CID 157289626
CID 157289956
CID 157289956
CID 157345855
CID 157345855
CID 157352090
CID 157352090
3-[7-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157406230
4-[7-[[4-[[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(1H-benzimidazol-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157487597
N-[(1S)-3-[3-[3-(4-azidobutyl)-5-methyl-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-4-[4-[[(3R)-1-butyl-3-[(S)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]benzamide;4-azido-N-[4-[[3-(hydroxymethyl)-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]butyl]butanamide;5-azido-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]pentanamide
CID 157502152
CID 157515292
CID 157515292

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide (CID 158898889) is N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide is COCc1cc(CNC(=O)c2ccccc2C)ccc1-c1nn(C2CCCC2)c2ncnc(N)c12.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)cc1CO.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)nn1.Cc1ccccc1C(=O)NCc1cnc(-c2nn(C3CCCC3)c3ncnc(N)c23)cn1.Cc1ccccc1C(=O)NCc1cnc(-c2nn(C3CCCC3)c3ncnc(N)c23)cn1.Nc1ncnc2c1c(-c1ccc(CNC(=O)C3CCC(F)(F)CN3)cc1)nn2C1CCCC1.Nc1ncnc2c1c(-c1ccc(CNC(=O)C3COc4ccccc4N3)cc1)nn2C1CCCC1.
What is the InChIKey of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide?
The InChIKey is JFEHLKSATOWOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C26H27N7O2.2C26H28N6O2.C23H27F2N7O.3C23H24N8O/c1-17-7-3-6-10-21(17)27(34)29-14-18-11-12-22(19(13-18)15-35-2)24-23-25(28)30-16-31-26(23)33(32-24)20-8-4-5-9-20;27-24-22-23(32-33(18-5-1-2-6-18)25(22)30-15-29-24)17-11-9-16(10-12-17)13-28-26(34)20-14-35-21-8-4-3-7-19(21)31-20;1-16-6-2-5-9-20(16)26(34)30-21(14-33)17-10-12-18(13-11-17)23-22-24(27)28-15-29-25(22)32(31-23)19-7-3-4-8-19;1-16-6-2-5-9-21(16)26(34)28-13-18-11-10-17(12-19(18)14-33)23-22-24(27)29-15-30-25(22)32(31-23)20-7-3-4-8-20;24-23(25)10-9-17(28-12-23)22(33)27-11-14-5-7-15(8-6-14)19-18-20(26)29-13-30-21(18)32(31-19)16-3-1-2-4-16;2*1-14-6-2-5-9-17(14)23(32)27-11-15-10-26-18(12-25-15)20-19-21(24)28-13-29-22(19)31(30-20)16-7-3-4-8-16;1-14-6-2-5-9-17(14)23(32)25-12-15-10-11-18(29-28-15)20-19-21(24)26-13-27-22(19)31(30-20)16-7-3-4-8-16/h3,6-7,10-13,16,20H,4-5,8-9,14-15H2,1-2H3,(H,29,34)(H2,28,30,31);3-4,7-12,15,18,20,31H,1-2,5-6,13-14H2,(H,28,34)(H2,27,29,30);2,5-6,9-13,15,19,21,33H,3-4,7-8,14H2,1H3,(H,30,34)(H2,27,28,29);2,5-6,9-12,15,20,33H,3-4,7-8,13-14H2,1H3,(H,28,34)(H2,27,29,30);5-8,13,16-17,28H,1-4,9-12H2,(H,27,33)(H2,26,29,30);2*2,5-6,9-10,12-13,16H,3-4,7-8,11H2,1H3,(H,27,32)(H2,24,28,29);2,5-6,9-11,13,16H,3-4,7-8,12H2,1H3,(H,25,32)(H2,24,26,27).
What are the key properties of N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide?
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide has a molecular weight of 3594.24 g/mol, XLogP of 28.99, 44 rotatable bonds, 20 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 158898889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).