2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

C94H97N21O9S — CID 165012026

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESC=C(C)Cc1nn(-c2ccc(C)cc2)c2nc(NCc3ccco3)nc(N3CCOCC3)c12.C=C(C)Nc1nn(-c2ccc(C)cc2)c2nc(NCc3ccco3)nc(N3CCOCC3)c12.Cc1ccc(-n2ncc3c(N4CCOCC4)nc(NCc4ccco4)nc32)cc1.O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C25H28N6O2.C24H27N7O2.C24H20N2O3S.C21H22N6O2/c1-17(2)15-21-22-23(30-10-13-32-14-11-30)27-25(26-16-20-5-4-12-33-20)28-24(22)31(29-21)19-8-6-18(3)7-9-19;1-16(2)26-21-20-22(30-10-13-32-14-11-30)27-24(25-15-19-5-4-12-33-19)28-23(20)31(29-21)18-8-6-17(3)7-9-18;27-24(26-15-14-18-8-4-6-12-21(18)26)17-25-16-23(20-11-5-7-13-22(20)25)30(28,29)19-9-2-1-3-10-19;1-15-4-6-16(7-5-15)27-20-18(14-23-27)19(26-8-11-28-12-9-26)24-21(25-20)22-13-17-3-2-10-29-17/h4-9,12H,1,10-11,13-16H2,2-3H3,(H,26,27,28);4-9,12H,1,10-11,13-15H2,2-3H3,(H,26,29)(H,25,27,28);1-13,16H,14-15,17H2;2-7,10,14H,8-9,11-13H2,1H3,(H,22,24,25)
InChIKeyJVSGSRAUDSZWFY-UHFFFAOYSA-N
MW1697.01 g/mol
LogP15.62
Rot. Bonds23

About 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 165012026) has the molecular formula C94H97N21O9S and a molecular weight of 1697.01 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID165012026
Molecular FormulaC94H97N21O9S
Molecular Weight1697.01 g/mol
Exact Mass1695.75
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESC=C(C)Cc1nn(-c2ccc(C)cc2)c2nc(NCc3ccco3)nc(N3CCOCC3)c12.C=C(C)Nc1nn(-c2ccc(C)cc2)c2nc(NCc3ccco3)nc(N3CCOCC3)c12.Cc1ccc(-n2ncc3c(N4CCOCC4)nc(NCc4ccco4)nc32)cc1.O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C25H28N6O2.C24H27N7O2.C24H20N2O3S.C21H22N6O2/c1-17(2)15-21-22-23(30-10-13-32-14-11-30)27-25(26-16-20-5-4-12-33-20)28-24(22)31(29-21)19-8-6-18(3)7-9-19;1-16(2)26-21-20-22(30-10-13-32-14-11-30)27-24(25-15-19-5-4-12-33-19)28-23(20)31(29-21)18-8-6-17(3)7-9-18;27-24(26-15-14-18-8-4-6-12-21(18)26)17-25-16-23(20-11-5-7-13-22(20)25)30(28,29)19-9-2-1-3-10-19;1-15-4-6-16(7-5-15)27-20-18(14-23-27)19(26-8-11-28-12-9-26)24-21(25-20)22-13-17-3-2-10-29-17/h4-9,12H,1,10-11,13-16H2,2-3H3,(H,26,27,28);4-9,12H,1,10-11,13-15H2,2-3H3,(H,26,29)(H,25,27,28);1-13,16H,14-15,17H2;2-7,10,14H,8-9,11-13H2,1H3,(H,22,24,25)
InChIKeyJVSGSRAUDSZWFY-UHFFFAOYSA-N
XLogP15.62
TPSA315.13 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.01
LogP ≤ 515.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

CID 159024846
CID 159024846
8-amino-N-ethyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;8-amino-N-methyl-2-(5-methylfuran-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[4-amino-2-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 157068617
N,N-dimethyl-4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 157106947
10-[2-(3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridin-2-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;4-(furan-2-yl)-10-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;6,7,8,9-tetrahydropyrido[4,3-b][1,6]naphthyridine
CID 157210730
N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157325253
N-(2-acetamidoethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(furan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(1-methoxybutan-2-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(2-methylsulfanylethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-(oxolan-2-ylmethyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-phenyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157486731
5-N-(6-aminohexyl)-7-N-(3H-indol-2-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(6-aminohexyl)-7-N-[(4-isocyanophenyl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(6-aminohexyl)-7-N-[(5-methylfuran-2-yl)methyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;5-N-(6-aminohexyl)-3-propan-2-yl-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-benzyl-5-N-(5-isocyanopentyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;N-benzyl-5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157756676
8-amino-N,N-diethyl-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;8-amino-N-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(2S)-1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 157806009
bis(4-chloro-N-(4-chlorophenyl)-1-(cyclopenta-1,4-dien-1-ylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide);4-chloro-N-(4-chlorophenyl)-1-(furan-2-ylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;bis(4-chloro-1-(cyclopenta-1,4-dien-1-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide);4-chloro-1-(furan-2-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158023310
1-[4-(Diethylamino)phenyl]-3-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea;1-[4-(dimethylamino)phenyl]-3-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea;4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]carbamoylamino]benzenesulfonic acid;1-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methylphenyl)urea
CID 158104720
8-amino-N,N-diethyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;8-amino-N-ethyl-N-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2,6-dimethylmorpholin-4-yl)methanone;8-amino-N-methyl-2-(5-methylfuran-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 158105271
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone;tert-butyl 4-[2-[[[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxylate;7-N-[(2,6-dimethoxyphenyl)methyl]-2-(furan-2-yl)-7-N-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;ethyl 4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazine-1-carboxylate;2-(furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-(furan-2-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158125987

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 165012026) is 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is C=C(C)Cc1nn(-c2ccc(C)cc2)c2nc(NCc3ccco3)nc(N3CCOCC3)c12.C=C(C)Nc1nn(-c2ccc(C)cc2)c2nc(NCc3ccco3)nc(N3CCOCC3)c12.Cc1ccc(-n2ncc3c(N4CCOCC4)nc(NCc4ccco4)nc32)cc1.O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is JVSGSRAUDSZWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C24H27N7O2.C24H20N2O3S.C21H22N6O2/c1-17(2)15-21-22-23(30-10-13-32-14-11-30)27-25(26-16-20-5-4-12-33-20)28-24(22)31(29-21)19-8-6-18(3)7-9-19;1-16(2)26-21-20-22(30-10-13-32-14-11-30)27-24(25-15-19-5-4-12-33-19)28-23(20)31(29-21)18-8-6-17(3)7-9-18;27-24(26-15-14-18-8-4-6-12-21(18)26)17-25-16-23(20-11-5-7-13-22(20)25)30(28,29)19-9-2-1-3-10-19;1-15-4-6-16(7-5-15)27-20-18(14-23-27)19(26-8-11-28-12-9-26)24-21(25-20)22-13-17-3-2-10-29-17/h4-9,12H,1,10-11,13-16H2,2-3H3,(H,26,27,28);4-9,12H,1,10-11,13-15H2,2-3H3,(H,26,29)(H,25,27,28);1-13,16H,14-15,17H2;2-7,10,14H,8-9,11-13H2,1H3,(H,22,24,25).
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 1697.01 g/mol, XLogP of 15.62, 23 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-3-(2-methylprop-2-enyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine;6-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-yl-3-N-prop-1-en-2-ylpyrazolo[5,4-d]pyrimidine-3,6-diamine;N-(furan-2-ylmethyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 165012026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).